data_1tf3_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 1tf3 _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 ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mt -90.7 143.61 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.592 0.757 . . . . 0.0 111.683 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -61.57 124.59 21.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.576 1.551 . . . . 0.0 110.332 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -42.77 -43.09 3.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.928 2.091 . . . . 0.0 112.828 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -75.71 63.23 1.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.277 1.031 . . . . 0.0 109.571 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.92 -65.29 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.153 2.981 . . . . 0.0 115.561 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.25 -37.25 2.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.964 1.705 . . . . 0.0 113.104 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.9 t -53.39 -35.89 60.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.316 1.446 . . . . 0.0 111.991 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.2 58.85 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.07 0.843 . . . . 0.0 114.739 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 142.74 31.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.599 1.2 . . . . 0.0 108.464 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.14 139.06 17.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.164 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -151.08 135.86 17.25 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -31.9 66.07 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.114 -0.991 . . . . 0.0 110.722 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -76.75 119.02 19.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -53.76 -48.35 69.81 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.126 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -52.39 -44.64 65.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.948 0.899 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -50.58 73.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.55 -35.9 79.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.861 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.41 -49.53 75.14 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 119.534 1.061 . . . . 0.0 109.102 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.22 74.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.617 0.367 . . . . 0.0 110.76 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -63.55 -60.34 3.47 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.839 -0.538 . . . . 0.0 109.823 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.56 -34.82 38.42 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.503 1.121 . . . . 0.0 112.274 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -52.73 -32.92 45.61 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.865 0.757 . . . . 0.0 111.321 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.42 -35.55 77.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.641 0.376 . . . . 0.0 111.601 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.13 -50.06 6.21 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.189 0.596 . . . . 0.0 110.955 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -82.1 -30.82 31.03 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.035 1.334 . . . . 0.0 114.517 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.48 7.99 87.09 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.38 144.4 35.98 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.927 1.363 . . . . 0.0 110.641 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -134.1 77.39 61.7 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 124.573 1.149 . . . . 0.0 108.57 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -47.86 -26.08 6.8 Favored 'Trans proline' 0 CA--C 1.533 0.459 1 C-N-CA 125.71 4.274 . . . . 0.0 119.23 -174.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -112.36 78.8 2.7 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 119.909 1.232 . . . . 0.0 111.68 -175.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -75.79 150.82 35.36 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.434 2.089 . . . . 0.0 111.978 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.23 -21.38 50.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.225 1.01 . . . . 0.0 111.309 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt 70.29 -47.0 0.62 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.642 1.977 . . . . 0.0 114.086 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -40.01 133.78 1.62 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.489 1.515 . . . . 0.0 113.158 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -55.63 138.16 47.7 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.715 0.806 . . . . 0.0 108.887 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.89 -65.86 2.87 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.94 50.45 1.02 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.63 0.715 . . . . 0.0 110.593 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.07 59.77 4.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -69.43 158.4 35.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.579 0.751 . . . . 0.0 109.4 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 98.74 0.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -88.73 143.47 26.9 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 p -90.4 -2.42 57.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.653 -0.654 . . . . 0.0 111.834 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -154.94 150.3 27.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 122.014 -0.429 . . . . 0.0 110.059 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.12 164.34 26.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . 0.32 1.7 t60 74.48 -40.41 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.772 1.629 . . . . 0.0 112.427 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -59.41 -36.28 75.56 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 169.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.83 -43.7 98.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.364 1.066 . . . . 0.0 109.327 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -63.36 -48.03 79.63 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.116 -0.99 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -61.7 -40.15 93.99 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.373 0.988 . . . . 0.0 108.879 176.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -43.59 77.07 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.673 0.67 . . . . 0.0 109.208 173.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.0 m -54.57 -20.85 8.75 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.44 -34.55 69.08 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.119 0.872 . . . . 0.0 109.514 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.5 p -68.42 -33.87 74.98 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.304 0.641 . . . . 0.0 111.857 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -76.62 -47.55 21.95 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.9 p -69.08 -25.53 64.48 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.311 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.84 27.19 59.09 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -79.79 62.21 3.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.516 0.727 . . . . 0.0 111.949 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -75.91 117.21 17.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -145.97 -18.39 0.45 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -171.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.45 88.88 2.65 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.573 1.079 . . . . 0.0 109.006 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.6 m -77.87 118.91 20.65 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.485 1.914 . . . . 0.0 110.893 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.87 117.25 4.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.59 74.98 2.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t -149.86 113.32 4.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.54 131.78 25.17 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.709 0.804 . . . . 0.0 110.915 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.51 -56.21 4.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.69 44.26 0.44 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.02 1.328 . . . . 0.0 109.907 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.54 52.85 2.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 120.866 -1.146 . . . . 0.0 109.566 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.81 131.68 44.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -97.08 123.65 40.88 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.742 1.217 . . . . 0.0 109.149 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -109.64 161.07 15.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 0.0 111.391 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -71.98 -36.35 69.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.301 1.44 . . . . 0.0 112.718 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.6 p -135.72 158.05 45.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.529 0.604 . . . . 0.0 110.247 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -56.56 -44.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.71 97.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.83 -0.544 . . . . 0.0 111.208 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -61.41 -44.25 97.45 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.305 0.957 . . . . 0.0 109.443 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.23 -48.06 74.47 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -59.27 -51.23 70.84 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.571 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -51.09 -52.35 44.42 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 119.432 1.015 . . . . 0.0 109.413 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -56.05 -54.23 47.51 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.873 0.306 . . . . 0.0 110.18 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.06 -43.42 63.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.558 0.694 . . . . 0.0 110.426 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -65.0 -64.8 0.78 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.629 0.772 . . . . 0.0 109.093 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -45.68 -38.77 7.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.084 2.154 . . . . 0.0 113.235 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -102.74 -19.41 14.75 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -134.08 -64.48 0.69 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 120.237 1.38 . . . . 0.0 109.918 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.34 0.155 0 CA-C-O 121.466 0.651 . . . . 0.0 110.893 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.17 142.4 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.923 0.889 . . . . 0.0 109.872 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.83 123.19 17.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.636 1.174 . . . . 0.0 109.227 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 p -52.09 -36.78 51.93 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.608 1.563 . . . . 0.0 112.609 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.95 65.3 1.41 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.98 . . . . 0.0 109.701 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.72 -65.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.305 3.042 . . . . 0.0 115.283 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.64 -38.22 2.96 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.84 1.656 . . . . 0.0 113.012 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 t -56.99 -34.86 68.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.122 1.369 . . . . 0.0 112.068 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.04 29.52 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.558 1.075 . . . . 0.0 114.35 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.89 144.3 25.83 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.134 0.967 . . . . 0.0 109.042 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.58 144.96 20.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -151.12 152.77 33.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -82.48 -40.04 21.65 Favored 'General case' 0 C--O 1.227 -0.094 0 O-C-N 121.902 -0.499 . . . . 0.0 112.038 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -73.89 118.48 16.9 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.67 -54.38 9.7 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.432 1.093 . . . . 0.0 110.592 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 p-90 -52.08 -40.34 61.07 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.895 0.878 . . . . 0.0 110.93 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -69.25 -48.71 61.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.929 -0.482 . . . . 0.0 109.744 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.41 -37.52 81.12 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.099 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -59.65 -47.9 83.8 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.875 1.216 . . . . 0.0 109.545 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.29 66.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.127 0.571 . . . . 0.0 110.345 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -67.71 -56.39 9.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.4 mt -48.0 -36.96 13.67 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 112.056 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 p -50.56 -34.07 24.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.049 0.386 . . . . 0.0 112.038 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -51.96 -43.16 63.39 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.793 0.837 . . . . 0.0 110.888 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -92.35 -49.33 6.21 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.873 0.869 . . . . 0.0 111.801 -177.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -81.76 -28.02 33.48 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.12 10.59 86.17 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -77.43 129.4 35.71 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.91 1.355 . . . . 0.0 109.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -128.22 82.21 68.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -48.34 -25.56 7.37 Favored 'Trans proline' 0 C--N 1.347 0.489 1 C-N-CA 125.525 4.15 . . . . 0.0 118.125 -174.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.59 81.57 3.31 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 119.162 0.892 . . . . 0.0 111.092 -176.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.59 154.04 39.49 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.755 2.303 . . . . 0.0 110.504 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.46 -24.36 34.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.927 0.891 . . . . 0.0 111.178 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? 68.18 -35.36 0.28 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.44 1.896 . . . . 0.0 115.813 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -45.85 137.92 5.24 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.918 0.887 . . . . 0.0 112.216 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -57.09 132.98 54.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -62.83 3.31 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.5 t -78.05 47.67 0.67 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.424 1.09 . . . . 0.0 110.353 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.2 60.88 6.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.4 162.45 22.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.84 110.99 1.38 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 107.609 -2.197 . . . . 0.0 107.609 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -112.46 152.83 28.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.672 0.789 . . . . 0.0 109.544 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -88.35 -17.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -142.55 158.85 43.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.45 -34.84 77.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -45.9 65.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.866 0.867 . . . . 0.0 108.792 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -58.48 -46.43 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.11 -41.3 87.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.438 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.2 m -60.36 -51.62 68.75 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.399 -0.813 . . . . 0.0 110.724 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -56.34 -37.2 69.66 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.029 0.832 . . . . 0.0 110.848 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -64.72 -48.8 73.31 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.985 -0.447 . . . . 0.0 110.238 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -51.52 -30.43 20.37 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.162 0.985 . . . . 0.0 112.259 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -49.64 -32.93 14.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.256 0.48 . . . . 0.0 111.636 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.2 p -64.34 -30.72 71.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.596 0.358 . . . . 0.0 111.503 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.81 -48.53 14.6 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.165 0.986 . . . . 0.0 109.515 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -71.83 -24.97 61.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.051 0.54 . . . . 0.0 110.907 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 35.77 41.01 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.0 51.35 1.13 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.821 0.819 . . . . 0.0 111.537 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -81.03 62.53 5.04 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.953 1.701 . . . . 0.0 107.506 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -118.46 3.66 11.82 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -76.13 87.16 3.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.923 1.238 . . . . 0.0 108.22 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.5 m -77.35 118.14 19.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.489 1.916 . . . . 0.0 111.161 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -60.89 117.42 5.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.53 74.29 1.96 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -149.26 112.77 5.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.03 131.3 22.99 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.82 0.848 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.33 -55.76 4.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.1 t -77.72 44.99 0.48 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.911 1.284 . . . . 0.0 109.926 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -83.84 52.28 2.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 120.813 -1.179 . . . . 0.0 109.593 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.26 134.11 49.88 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -103.28 112.59 25.53 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 124.152 0.981 . . . . 0.0 109.033 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -96.33 161.95 13.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.939 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -50.68 28.1 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 126.238 1.815 . . . . 0.0 111.687 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.1 p -117.91 155.66 29.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.707 0.685 . . . . 0.0 109.765 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.49 -40.8 79.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.13 93.13 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.761 -0.587 . . . . 0.0 111.123 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.28 -44.76 96.69 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.084 0.856 . . . . 0.0 108.701 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.9 ttp -55.71 -50.95 68.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -58.47 -48.48 80.63 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 123.109 0.564 . . . . 0.0 111.016 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -53.88 -52.78 59.39 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 119.103 0.865 . . . . 0.0 109.365 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -55.42 -54.68 40.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.566 0.222 . . . . 0.0 110.425 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -53.53 -43.4 68.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.83 0.824 . . . . 0.0 109.681 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -60.34 -61.93 2.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -48.16 -51.01 26.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.596 1.159 . . . . 0.0 112.558 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.98 -24.71 22.34 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 115.311 1.596 . . . . 0.0 115.311 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -123.87 -34.04 3.06 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.718 1.145 . . . . 0.0 113.274 -173.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 39.5 t30 . . . . . 0 N--CA 1.464 0.231 0 CA-C-N 119.557 1.071 . . . . 0.0 108.389 177.527 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -91.79 143.81 10.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.566 0.746 . . . . 0.0 111.768 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 t -63.23 122.14 15.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.221 1.808 . . . . 0.0 110.839 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.45 -33.33 13.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 126.64 1.976 . . . . 0.0 113.634 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.37 75.47 0.54 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.681 0.793 . . . . 0.0 110.423 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.21 128.94 4.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.712 1.205 . . . . 0.0 109.799 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 106.07 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 128.806 2.842 . . . . 0.0 109.136 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -58.86 -43.63 90.86 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 109.975 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.32 23.37 66.39 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.011 0.815 . . . . 0.0 114.713 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.57 149.7 26.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.54 144.19 22.58 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -146.01 149.68 34.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.389 0.541 . . . . 0.0 111.294 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -71.27 -47.71 55.31 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.118 0.967 . . . . 0.0 112.924 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.06 136.26 33.11 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.193 -0.317 . . . . 0.0 110.628 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -54.32 -47.6 72.3 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 119.317 -0.373 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.3 p-90 -55.76 -39.35 71.08 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.42 0.688 . . . . 0.0 111.204 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -66.15 -46.3 77.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.8 -41.16 95.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.981 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -58.65 -47.05 85.74 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.277 0.944 . . . . 0.0 109.788 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.41 77.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -61.67 -55.58 28.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.209 174.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -47.53 -38.52 14.24 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.163 0.985 . . . . 0.0 112.549 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 p -50.19 -33.1 18.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.62 0.645 . . . . 0.0 111.444 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -54.5 -43.18 71.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.362 0.665 . . . . 0.0 111.457 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -90.58 -51.1 5.57 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 111.308 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 p -76.7 -31.53 57.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.047 1.339 . . . . 0.0 113.84 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.95 8.63 78.5 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -171.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 147.26 33.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.789 1.294 . . . . 0.0 110.864 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -134.82 76.87 58.69 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -47.39 -24.49 4.09 Favored 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.53 4.153 . . . . 0.0 119.208 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.64 83.82 5.94 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 119.498 1.045 . . . . 0.0 111.859 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.57 152.0 33.19 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.465 2.11 . . . . 0.0 111.346 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.4 t -80.14 -16.93 53.85 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.975 0.91 . . . . 0.0 112.179 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 70.54 -50.17 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.437 1.895 . . . . 0.0 114.14 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -39.86 132.1 1.79 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.769 1.628 . . . . 0.0 113.154 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -56.71 139.51 50.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.8 -65.03 2.94 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.73 48.78 0.84 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.021 0.928 . . . . 0.0 110.108 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -82.89 60.54 5.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.61 160.22 28.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.522 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.07 108.88 1.08 Allowed Glycine 0 C--N 1.334 0.446 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -105.69 150.02 25.85 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.135 0.967 . . . . 0.0 109.635 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -88.61 -9.05 53.53 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.967 0.907 . . . . 0.0 112.664 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -150.05 148.76 29.4 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.702 0.683 . . . . 0.0 110.391 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.2 -37.0 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -49.51 76.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 122.0 -0.437 . . . . 0.0 110.479 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -62.09 -39.5 92.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.134 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.22 -40.37 81.49 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.621 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m -61.99 -49.2 77.0 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.575 -0.703 . . . . 0.0 109.825 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -59.8 -43.87 94.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.946 0.794 . . . . 0.0 109.762 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.17 -43.36 78.31 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.752 -0.592 . . . . 0.0 109.717 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -20.53 11.68 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.3 mt -56.25 -35.04 66.95 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.403 1.001 . . . . 0.0 109.634 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -68.57 -35.23 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -76.9 -47.29 21.55 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.6 p -67.96 -28.98 67.93 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.493 0.317 . . . . 0.0 110.769 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.74 30.24 48.96 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -79.51 45.95 0.71 Allowed 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.736 -0.861 . . . . 0.0 111.973 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -81.25 64.7 6.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.402 1.481 . . . . 0.0 107.982 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -115.94 7.37 14.4 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -76.13 85.05 2.98 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 119.647 1.112 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 m -77.82 122.3 25.24 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.054 2.142 . . . . 0.0 111.835 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 t -59.98 119.98 8.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 173.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.56 73.15 1.95 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 122.561 0.344 . . . . 0.0 110.177 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -152.5 116.62 4.91 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.39 138.75 26.36 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.02 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.98 -59.64 4.49 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.07 46.02 0.57 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.505 1.122 . . . . 0.0 110.113 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.12 52.1 2.11 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.928 -1.107 . . . . 0.0 109.456 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.5 128.85 37.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -100.68 119.47 38.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 108.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.07 161.92 13.26 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.948 0.899 . . . . 0.0 111.025 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 p -67.95 -50.92 53.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.032 1.333 . . . . 0.0 111.064 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 p -118.08 155.12 30.92 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.701 0.762 . . . . 0.0 110.527 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -57.98 -42.57 85.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.242 175.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.23 92.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.552 -0.718 . . . . 0.0 111.201 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.13 -46.34 88.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.313 0.96 . . . . 0.0 108.933 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.7 ttp -56.21 -48.37 76.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.87 0.468 . . . . 0.0 110.249 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -58.41 -52.31 66.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.244 0.617 . . . . 0.0 110.172 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -54.74 -45.46 74.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.752 0.705 . . . . 0.0 110.119 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -58.87 -53.63 56.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.994 -0.441 . . . . 0.0 110.001 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.71 -42.83 71.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.027 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -58.56 -64.86 0.78 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -47.99 -52.74 18.63 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.723 1.209 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -88.2 -24.98 23.14 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -124.67 -42.1 2.09 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.504 1.047 . . . . 0.0 112.933 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.352 0 CA-C-N 119.626 1.103 . . . . 0.0 110.038 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mp -86.81 142.03 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 123.991 0.916 . . . . 0.0 110.015 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -61.74 125.89 25.41 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.209 1.403 . . . . 0.0 111.111 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.95 -43.21 13.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.083 1.753 . . . . 0.0 112.308 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -74.97 67.64 1.71 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.3 -61.01 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.379 2.672 . . . . 0.0 115.133 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.26 -37.08 3.03 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.837 1.655 . . . . 0.0 113.219 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -54.08 -35.0 61.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.58 1.552 . . . . 0.0 111.527 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.77 57.54 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.245 0.926 . . . . 0.0 113.526 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.67 150.99 20.34 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.39 147.78 25.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -143.69 152.95 41.96 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 118.093 0.406 . . . . 0.0 111.938 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -39.33 -56.06 1.62 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 127.189 2.195 . . . . 0.0 115.919 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -125.6 160.48 29.5 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -49.11 -54.0 18.14 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.779 1.632 . . . . 0.0 110.566 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -55.14 -42.38 72.98 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.347 0.659 . . . . 0.0 110.944 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -67.71 -43.48 79.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.4 tp -59.53 -41.11 89.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.949 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.02 -45.89 91.28 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.956 0.798 . . . . 0.0 109.769 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.164 -0.335 . . . . 0.0 110.433 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -63.91 -55.82 19.82 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.743 -0.598 . . . . 0.0 109.566 174.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -52.01 -30.71 26.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.539 1.136 . . . . 0.0 111.914 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 p -54.63 -31.13 56.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.36 0.982 . . . . 0.0 110.885 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -63.24 -33.29 75.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.134 0.573 . . . . 0.0 111.212 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.75 -49.66 6.51 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.657 0.783 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.8 p -88.69 -30.71 18.92 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.843 1.657 . . . . 0.0 115.323 -171.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.81 7.18 88.85 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -172.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.82 133.18 38.25 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.054 1.427 . . . . 0.0 110.639 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -130.44 81.93 66.67 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -52.28 -20.85 12.02 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 125.286 3.99 . . . . 0.0 118.722 -173.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -113.02 76.88 2.44 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 119.777 1.171 . . . . 0.0 111.561 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.33 142.49 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.028 2.486 . . . . 0.0 110.212 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.56 -17.72 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.068 1.347 . . . . 0.0 112.273 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 71.53 -44.95 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.511 1.924 . . . . 0.0 114.292 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -43.14 133.84 3.77 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.526 1.13 . . . . 0.0 112.748 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.36 134.73 56.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.1 -63.29 3.25 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.96 46.19 0.57 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.445 1.098 . . . . 0.0 110.356 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.01 60.03 5.99 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -65.62 137.67 57.5 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.23 91.82 1.11 Allowed Glycine 0 CA--C 1.52 0.348 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -90.47 156.44 18.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.841 0.821 . . . . 0.0 110.016 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -100.8 -7.9 23.19 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -148.86 156.68 42.66 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.287 0.948 . . . . 0.0 109.324 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.11 -43.31 95.7 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -61.64 -48.56 80.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.631 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -53.74 -48.04 70.05 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.1 -40.35 89.31 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.188 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -62.49 -52.71 62.41 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.469 -0.769 . . . . 0.0 110.12 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -58.82 -38.45 78.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.177 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -58.99 -49.86 76.3 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.909 -0.494 . . . . 0.0 110.793 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -24.8 27.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -52.14 -31.93 33.39 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.69 0.677 . . . . 0.0 110.888 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -65.54 -29.77 70.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.591 0.356 . . . . 0.0 111.523 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.65 -48.24 15.44 Favored 'General case' 0 CA--C 1.522 -0.129 0 C-N-CA 124.055 0.942 . . . . 0.0 109.277 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -71.74 -25.06 61.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.53 32.54 46.39 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.22 58.03 2.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.9 0.857 . . . . 0.0 111.267 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.51 77.26 5.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -121.29 -3.71 9.46 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -169.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -76.8 87.48 3.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 119.448 1.022 . . . . 0.0 108.394 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.59 117.69 19.26 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.824 2.05 . . . . 0.0 111.265 -173.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.07 116.54 4.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.72 74.56 2.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -148.89 113.52 5.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.76 132.37 26.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.63 0.772 . . . . 0.0 110.76 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.48 -56.82 4.9 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.6 t -77.87 46.13 0.55 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.5 1.12 . . . . 0.0 109.96 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.58 51.47 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 120.819 -1.176 . . . . 0.0 109.368 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.69 134.46 48.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -102.41 125.83 49.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -110.72 164.08 13.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.163 0.985 . . . . 0.0 111.296 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -68.04 -39.03 83.16 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.033 1.733 . . . . 0.0 113.038 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 p -136.74 163.41 30.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.234 0.925 . . . . 0.0 110.144 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -57.99 -38.79 76.77 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.26 85.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.736 -0.603 . . . . 0.0 111.509 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -59.89 -48.1 83.07 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.4 ttp -54.32 -49.69 69.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.373 0.669 . . . . 0.0 110.029 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -59.97 -48.33 82.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.419 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.45 -50.12 65.95 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.693 1.133 . . . . 0.0 109.677 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -56.41 -54.09 49.72 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.14 -42.63 69.74 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.998 0.904 . . . . 0.0 110.536 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -60.88 -61.67 2.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -52.9 -43.77 66.44 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.643 1.577 . . . . 0.0 113.474 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.32 -24.29 17.47 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -128.99 -46.04 1.25 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.571 1.078 . . . . 0.0 113.366 -173.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.357 0 CA-C-N 119.234 0.925 . . . . 0.0 112.131 -174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -87.36 148.28 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.362 1.465 . . . . 0.0 111.454 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -66.87 126.0 27.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.902 2.081 . . . . 0.0 110.039 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -40.01 -43.43 1.56 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 126.811 2.044 . . . . 0.0 113.356 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -75.67 62.35 1.46 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.306 1.042 . . . . 0.0 109.484 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.35 -65.89 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 129.2 3.0 . . . . 0.0 115.626 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.0 -36.67 1.64 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.072 1.749 . . . . 0.0 113.106 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -52.53 -35.57 53.71 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.672 1.589 . . . . 0.0 111.939 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 18.08 61.34 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.936 0.779 . . . . 0.0 114.758 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.06 140.16 32.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.58 148.19 27.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.422 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -143.22 -50.07 0.33 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 104.55 -41.42 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 128.338 2.655 . . . . 0.0 112.263 -177.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -75.59 116.05 15.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -47.74 -51.91 20.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.436 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -53.42 -44.38 68.72 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.341 0.656 . . . . 0.0 111.109 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.52 -48.14 73.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -177.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.67 -42.16 96.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.826 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.35 -47.37 86.36 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.84 0.746 . . . . 0.0 109.686 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -37.16 71.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.125 0.57 . . . . 0.0 110.169 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -66.7 -56.75 9.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -47.05 -39.66 13.37 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.105 0.962 . . . . 0.0 112.256 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -51.3 -32.12 23.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.487 0.585 . . . . 0.0 111.985 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -60.06 -35.58 75.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.916 0.486 . . . . 0.0 110.86 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.43 -51.15 5.42 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.063 0.945 . . . . 0.0 111.333 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.4 p -80.35 -31.56 37.93 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.049 1.74 . . . . 0.0 114.47 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.97 7.22 87.56 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 119.508 -0.607 . . . . 0.0 111.597 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.68 139.08 38.55 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.051 1.425 . . . . 0.0 110.671 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -128.4 83.46 66.08 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 124.441 1.096 . . . . 0.0 109.444 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -50.3 -27.39 17.81 Favored 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 125.638 4.225 . . . . 0.0 118.617 -175.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.03 83.12 1.24 Allowed Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 119.299 0.954 . . . . 0.0 111.325 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.69 149.73 49.24 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.374 2.049 . . . . 0.0 110.608 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.52 -18.62 47.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.492 0.717 . . . . 0.0 111.738 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.3 -43.18 0.48 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.64 1.976 . . . . 0.0 115.479 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -43.55 135.41 3.71 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.485 1.114 . . . . 0.0 112.641 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.23 137.21 57.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.19 -64.36 3.15 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.55 46.43 0.64 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.376 1.07 . . . . 0.0 110.123 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -84.43 60.3 5.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.239 -0.913 . . . . 0.0 108.678 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -68.66 167.11 15.87 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.067 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.34 114.96 2.04 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 106.823 -2.511 . . . . 0.0 106.823 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -111.61 151.51 28.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.025 0.93 . . . . 0.0 109.92 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.89 -1.92 41.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -174.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.6 p -154.47 155.69 35.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.513 1.051 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.44 -46.19 89.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -61.9 -43.67 98.36 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.389 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -46.16 80.66 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.577 0.626 . . . . 0.0 109.567 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.1 -42.31 94.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.786 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.6 m -59.08 -53.54 57.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.044 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 -57.76 -41.07 81.2 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.262 0.937 . . . . 0.0 110.281 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.2 -49.96 74.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.123 0.419 . . . . 0.0 110.589 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 p -58.03 -19.93 35.06 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.09 -32.44 68.07 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.45 -0.781 . . . . 0.0 109.644 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -65.11 -34.49 78.53 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.07 0.395 . . . . 0.0 111.149 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.6 -51.84 8.76 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.628 0.771 . . . . 0.0 109.79 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.5 p -68.06 -30.22 69.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.263 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.01 19.72 66.72 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.103 0.859 . . . . 0.0 111.527 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -78.46 55.19 1.56 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.115 0.958 . . . . 0.0 111.419 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.33 67.65 5.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.461 1.904 . . . . 0.0 106.113 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -102.63 -4.71 24.76 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -75.51 84.92 2.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 119.297 0.953 . . . . 0.0 109.337 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -79.95 123.23 27.6 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.979 2.112 . . . . 0.0 111.173 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.1 120.34 9.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -76.48 66.7 2.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.788 0.835 . . . . 0.0 110.5 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 t -145.51 116.12 7.66 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.85 139.67 26.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.882 0.473 . . . . 0.0 109.972 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.22 -60.61 4.47 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 108.788 -1.725 . . . . 0.0 108.788 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.34 48.95 0.8 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.981 0.912 . . . . 0.0 109.861 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -83.19 52.48 2.2 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.944 -1.097 . . . . 0.0 109.072 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.28 131.63 45.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -94.73 136.69 34.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.96 159.13 27.58 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.066 0.946 . . . . 0.0 110.164 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 p -72.12 -32.52 67.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.257 1.023 . . . . 0.0 112.787 -178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -137.38 158.1 45.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.925 0.784 . . . . 0.0 110.592 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -56.88 -43.97 81.82 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.266 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.94 -45.22 93.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.603 1.092 . . . . 0.0 109.214 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.1 ttp -55.2 -48.17 74.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.858 0.463 . . . . 0.0 109.801 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -60.72 -47.64 85.38 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.861 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.96 -51.33 61.84 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 119.802 1.183 . . . . 0.0 109.044 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -55.87 -54.07 49.09 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.365 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.73 -43.9 66.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.846 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -66.8 0.46 Allowed 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.271 1.028 . . . . 0.0 108.511 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -45.58 -36.49 4.73 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.331 1.852 . . . . 0.0 113.453 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -105.25 -65.56 1.04 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -175.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -78.71 -35.68 44.55 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -171.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.168 0 CA-C-N 119.392 0.996 . . . . 0.0 108.969 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.1 mt -92.68 142.92 12.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.471 0.708 . . . . 0.0 110.913 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 132.56 54.03 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.626 1.17 . . . . 0.0 110.647 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 p -55.21 -42.67 73.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.287 1.435 . . . . 0.0 111.567 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -75.28 65.2 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.206 1.002 . . . . 0.0 109.887 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.02 -63.48 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 129.227 3.011 . . . . 0.0 115.4 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.35 -38.11 2.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.866 1.666 . . . . 0.0 112.969 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -53.8 -35.99 61.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.345 1.458 . . . . 0.0 111.987 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.83 25.3 58.89 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.34 0.971 . . . . 0.0 113.792 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.36 24.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.931 0.865 . . . . 0.0 108.792 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.51 144.99 24.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.65 141.23 29.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.545 0.611 . . . . 0.0 112.332 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 0.55 0.13 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 118.117 2.636 . . . . 0.0 118.117 -174.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 150.93 29.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.109 1.322 . . . . 0.0 111.525 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -55.47 -56.47 19.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.89 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -53.59 -41.85 67.03 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.971 0.908 . . . . 0.0 110.708 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -61.49 -50.47 72.61 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.35 -38.07 85.6 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.289 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.37 -47.42 81.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 119.944 1.247 . . . . 0.0 110.003 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.76 -45.67 78.03 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -59.05 -53.87 53.55 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.352 -0.843 . . . . 0.0 110.559 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -54.2 -31.97 54.41 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.901 0.88 . . . . 0.0 111.953 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.1 p -54.24 -30.89 51.85 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.395 0.998 . . . . 0.0 110.736 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -58.88 -41.68 87.71 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.231 0.613 . . . . 0.0 111.258 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -86.0 -50.38 7.1 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.515 0.726 . . . . 0.0 111.368 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -84.28 -29.95 26.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -171.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.24 8.59 83.65 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.77 150.7 32.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.807 1.303 . . . . 0.0 111.062 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -134.99 77.4 56.37 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -48.25 -22.01 3.5 Favored 'Trans proline' 0 C--N 1.346 0.407 1 C-N-CA 125.786 4.324 . . . . 0.0 119.223 -173.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.67 79.58 2.5 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 119.592 1.087 . . . . 0.0 111.484 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -73.02 143.99 37.24 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.494 2.129 . . . . 0.0 110.342 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -77.21 -10.38 59.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.973 1.309 . . . . 0.0 113.672 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm 71.65 -53.86 0.68 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.079 1.752 . . . . 0.0 113.754 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -41.71 131.55 3.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.846 1.658 . . . . 0.0 113.391 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.19 138.82 57.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.24 -63.99 3.21 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.49 45.29 0.56 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.715 1.206 . . . . 0.0 109.597 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -84.31 59.22 5.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.226 -0.921 . . . . 0.0 108.65 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -65.91 157.49 30.5 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.88 105.48 1.0 Allowed Glycine 0 C--N 1.333 0.395 0 N-CA-C 106.706 -2.558 . . . . 0.0 106.706 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.8 148.7 24.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.977 0.888 . . . . 0.0 110.536 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 p -91.53 -10.88 39.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.411 1.084 . . . . 0.0 111.947 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.3 p -143.95 150.1 37.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.726 0.693 . . . . 0.0 111.081 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.48 -40.68 87.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -57.36 -50.89 71.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.157 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.18 -40.42 89.92 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.248 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.64 -43.12 99.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.408 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -61.73 -53.13 60.17 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.51 0.724 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -61.39 -41.02 96.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -54.7 -47.04 74.18 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.786 -0.571 . . . . 0.0 109.59 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -54.32 -25.51 24.34 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.14 -32.45 62.11 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.246 0.93 . . . . 0.0 110.311 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 p -66.46 -30.82 71.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.976 0.353 . . . . 0.0 110.994 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.06 -49.13 13.16 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.017 0.927 . . . . 0.0 109.339 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.5 p -73.06 -23.38 60.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.94 26.61 59.99 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -80.32 49.11 1.09 Allowed 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.675 -0.897 . . . . 0.0 111.92 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -79.09 62.73 3.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.657 1.983 . . . . 0.0 108.317 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -104.01 5.22 35.27 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -76.12 85.59 2.98 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 120.247 1.385 . . . . 0.0 108.843 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.7 m -78.0 124.48 28.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.659 1.984 . . . . 0.0 111.522 -173.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.4 t -65.08 118.76 9.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.66 73.54 2.01 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -150.48 110.73 4.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.31 132.52 24.44 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.794 0.838 . . . . 0.0 110.964 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.7 -56.22 4.91 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.1 t -77.85 44.59 0.47 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.072 1.349 . . . . 0.0 109.737 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -84.31 52.66 2.4 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 120.837 -1.164 . . . . 0.0 109.763 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.34 134.99 53.72 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -105.98 120.22 41.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 124.072 0.949 . . . . 0.0 108.496 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -108.25 167.18 10.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.211 1.004 . . . . 0.0 111.681 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -68.49 -46.46 69.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.535 1.534 . . . . 0.0 113.139 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 p -132.86 162.95 30.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.265 0.939 . . . . 0.0 109.962 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.55 -51.07 51.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.304 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 -30.69 70.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -62.97 -49.58 74.17 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -57.41 -42.95 83.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.85 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.32 -53.65 54.04 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.015 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -50.53 -52.2 40.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.235 0.925 . . . . 0.0 109.456 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -55.72 -55.59 30.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.563 0.22 . . . . 0.0 110.469 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -51.79 -43.53 63.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.574 0.75 . . . . 0.0 110.11 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -63.28 -61.05 2.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.666 0.786 . . . . 0.0 109.584 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -50.68 -40.96 55.06 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.496 1.119 . . . . 0.0 113.178 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -99.66 -19.87 16.59 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -134.02 -63.15 0.74 Allowed 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 119.867 1.212 . . . . 0.0 110.188 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.149 0 CA-C-N 118.667 0.667 . . . . 0.0 111.206 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.55 143.93 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.59 122.97 16.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.363 1.465 . . . . 0.0 110.444 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -45.87 -40.4 9.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 126.392 1.877 . . . . 0.0 112.842 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -75.58 63.66 1.56 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.247 1.019 . . . . 0.0 109.534 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.88 -65.8 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 129.182 2.993 . . . . 0.0 115.494 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.37 -37.38 2.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 113.094 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.2 t -54.18 -35.74 62.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.15 1.38 . . . . 0.0 112.131 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.79 25.59 61.63 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.158 0.885 . . . . 0.0 114.256 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.51 146.11 24.36 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.125 0.963 . . . . 0.0 108.477 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.24 146.88 24.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -147.75 153.07 38.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.558 0.617 . . . . 0.0 110.871 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -73.98 -48.74 28.29 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.176 0.99 . . . . 0.0 112.424 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -84.74 131.46 34.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.843 -0.536 . . . . 0.0 110.101 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.86 -45.35 70.96 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.217 -0.302 . . . . 0.0 110.82 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -56.6 -38.27 71.81 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.332 0.653 . . . . 0.0 111.596 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -63.4 -48.97 75.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.05 -38.22 85.4 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.293 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -60.14 -48.23 82.61 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 119.606 1.094 . . . . 0.0 109.602 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.89 -47.03 74.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.25 -56.93 15.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.807 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -52.36 -31.85 35.6 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.558 1.143 . . . . 0.0 112.291 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 p -53.05 -31.95 44.2 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.073 0.851 . . . . 0.0 111.134 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.17 -40.38 81.31 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.38 0.536 . . . . 0.0 111.573 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.09 -48.04 7.68 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.258 0.623 . . . . 0.0 111.341 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -83.2 -30.31 27.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.38 83.92 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -172.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -79.09 144.36 34.65 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.797 1.298 . . . . 0.0 110.917 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -132.53 78.07 68.28 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -49.29 -24.05 7.84 Favored 'Trans proline' 0 C--N 1.346 0.413 1 C-N-CA 125.322 4.015 . . . . 0.0 118.56 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.31 79.61 3.98 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 119.595 1.089 . . . . 0.0 111.174 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.91 149.17 36.74 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.15 1.9 . . . . 0.0 110.505 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.5 t -82.42 127.12 32.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -77.38 -7.16 55.65 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -172.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -65.1 120.39 12.57 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.888 0.767 . . . . 0.0 110.314 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.11 69.97 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.199 1.4 . . . . 0.0 111.043 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 162.15 -61.5 0.28 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.3 -2.72 . . . . 0.0 106.3 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.9 t -79.62 56.34 2.2 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -80.98 62.33 4.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.855 0.862 . . . . 0.0 109.681 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -68.31 161.82 26.52 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.05 103.96 0.8 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -103.13 148.59 25.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.286 1.043 . . . . 0.0 109.13 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 p -90.91 -5.81 54.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.561 0.745 . . . . 0.0 112.425 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -150.58 144.2 25.14 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.749 0.704 . . . . 0.0 111.025 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.5 tp -56.59 -41.15 76.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -49.69 71.95 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.38 -42.99 98.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -58.04 -41.18 82.67 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -59.97 -55.3 35.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.344 0.658 . . . . 0.0 109.973 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -62.15 -39.53 92.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.027 -1.069 . . . . 0.0 110.933 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.78 -45.12 70.58 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.557 -0.715 . . . . 0.0 109.881 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 m -54.81 -23.54 18.73 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.9 -33.21 55.92 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.385 0.993 . . . . 0.0 110.434 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -65.44 -31.33 72.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.429 0.292 . . . . 0.0 111.264 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.72 -48.91 12.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.099 0.959 . . . . 0.0 109.59 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -69.89 -24.67 63.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.378 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.73 32.5 57.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.34 45.65 0.67 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.942 -0.74 . . . . 0.0 111.909 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -79.22 66.65 4.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.327 1.851 . . . . 0.0 108.637 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -110.88 3.83 19.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -75.91 85.22 2.84 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 119.853 1.206 . . . . 0.0 110.165 -175.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.4 m -75.37 119.65 19.76 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.776 2.03 . . . . 0.0 112.255 -173.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.5 t -58.39 120.41 8.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.417 1.087 . . . . 0.0 108.122 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -76.17 71.76 2.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -152.05 116.75 5.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.11 139.95 27.11 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.999 0.519 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.51 4.37 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.17 48.79 0.77 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.992 0.917 . . . . 0.0 109.802 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -83.25 53.51 2.5 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.946 -1.096 . . . . 0.0 109.362 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.79 126.24 29.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -98.33 120.16 38.26 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -108.99 173.82 6.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.807 1.243 . . . . 0.0 113.13 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.4 p -72.96 -48.06 39.97 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.186 2.194 . . . . 0.0 113.736 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.4 p -136.15 159.94 40.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.911 1.232 . . . . 0.0 109.413 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -57.17 -30.42 64.46 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.904 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.57 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.146 1.339 . . . . 0.0 111.086 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -60.15 -46.41 89.76 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.6 ttp -56.3 -51.48 68.04 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.689 0.796 . . . . 0.0 111.264 178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -58.59 -54.1 50.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.63 0.772 . . . . 0.0 109.373 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -52.22 -52.64 51.1 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.409 0.55 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -55.52 -54.54 42.69 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.914 0.325 . . . . 0.0 110.177 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -53.9 -44.93 70.92 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.913 0.485 . . . . 0.0 110.654 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.25 -66.16 0.53 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -46.95 -38.05 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.084 2.154 . . . . 0.0 113.136 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -99.95 -70.47 0.73 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.914 0.886 . . . . 0.0 113.001 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.43 -38.0 50.47 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.137 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.316 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.45 143.14 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 118.402 0.546 . . . . 0.0 111.382 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.7 t -58.64 127.85 34.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.83 1.652 . . . . 0.0 110.562 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.23 -45.03 5.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.601 1.961 . . . . 0.0 112.737 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.81 64.32 1.77 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.069 0.948 . . . . 0.0 109.737 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.57 -64.55 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.833 2.853 . . . . 0.0 115.426 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -42.92 -37.97 2.04 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.082 1.753 . . . . 0.0 113.098 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -52.42 -36.63 54.74 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.641 1.576 . . . . 0.0 111.983 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.54 20.05 60.95 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.881 0.753 . . . . 0.0 114.007 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.24 146.26 26.61 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.18 141.45 20.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -145.97 145.33 30.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.056 0.942 . . . . 0.0 108.745 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -78.63 -36.21 44.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.6 130.51 34.46 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.782 -0.574 . . . . 0.0 109.886 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -54.13 -51.2 64.99 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.406 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -53.79 -40.88 66.67 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.339 0.655 . . . . 0.0 110.8 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.06 -44.5 79.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -39.49 94.73 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -62.39 -45.95 90.81 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.79 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -54.56 -54.53 40.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.434 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 mt -52.45 -32.85 41.55 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 117.971 -1.014 . . . . 0.0 112.402 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 p -49.7 -32.14 12.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.197 0.908 . . . . 0.0 111.544 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -55.05 -41.4 71.4 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.678 0.672 . . . . 0.0 111.319 176.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -90.8 -48.52 6.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.216 1.006 . . . . 0.0 111.835 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.1 p -93.02 -21.75 19.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.82 13.45 72.07 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -174.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.98 137.76 39.22 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.804 1.302 . . . . 0.0 109.914 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -132.89 80.64 60.21 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -46.77 -25.97 4.18 Favored 'Trans proline' 0 C--N 1.346 0.423 1 C-N-CA 125.692 4.262 . . . . 0.0 118.979 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.37 81.47 3.04 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 119.265 0.939 . . . . 0.0 111.538 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.25 146.66 28.59 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.184 1.923 . . . . 0.0 111.377 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.98 -28.11 43.49 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.216 0.606 . . . . 0.0 110.467 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 65.57 -31.96 0.15 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -45.04 139.68 3.08 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.496 1.118 . . . . 0.0 112.053 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -51.43 129.35 25.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.151 0.98 . . . . 0.0 109.299 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.38 -61.37 3.54 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.5 t -78.05 49.81 0.83 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.869 0.867 . . . . 0.0 111.215 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -82.54 62.8 6.38 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -69.82 162.07 28.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.563 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.92 102.92 0.64 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -97.56 147.45 24.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 118.214 1.007 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -89.69 -7.95 53.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.929 0.892 . . . . 0.0 112.665 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.413 ' HG ' ' CG ' ' A' ' 59' ' ' HIS . 39.8 p -147.76 153.67 39.53 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.414 1.006 . . . . 0.0 111.492 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.56 -40.99 84.63 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -57.1 -50.51 72.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.413 ' CG ' ' HG ' ' A' ' 56' ' ' SER . 1.6 m-70 -59.68 -41.5 90.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.165 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.6 -46.56 89.78 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.488 0.661 . . . . 0.0 110.472 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.0 m -60.18 -55.07 38.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.837 0.855 . . . . 0.0 110.636 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -60.93 -40.93 95.09 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -56.09 -43.18 77.8 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.688 -0.632 . . . . 0.0 109.747 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -56.99 -21.6 31.89 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.77 -30.73 70.99 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.276 -0.89 . . . . 0.0 109.678 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 p -69.19 -34.35 74.78 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.337 0.517 . . . . 0.0 111.034 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -76.45 -50.32 14.37 Favored 'General case' 0 C--N 1.339 0.13 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.4 p -70.12 -26.46 63.97 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.03 21.92 69.8 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.531 1.063 . . . . 0.0 111.23 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.07 56.97 2.11 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.843 0.821 . . . . 0.0 112.236 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -76.44 72.13 3.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.084 1.754 . . . . 0.0 108.232 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -105.55 -2.79 23.15 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -75.98 87.23 2.91 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 120.476 1.489 . . . . 0.0 109.348 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.76 119.35 21.15 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.753 2.021 . . . . 0.0 111.391 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.39 115.74 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -74.43 74.42 1.91 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 t -148.26 112.6 5.27 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.55 131.05 21.11 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.947 0.899 . . . . 0.0 110.98 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.38 -55.97 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.64 45.08 0.48 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.823 1.249 . . . . 0.0 109.973 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.16 51.48 2.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 120.868 -1.145 . . . . 0.0 109.733 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.36 136.58 53.6 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.33 125.76 49.14 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -108.43 161.29 15.17 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.614 1.166 . . . . 0.0 111.802 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.7 -44.41 77.76 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.238 1.415 . . . . 0.0 112.208 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -131.55 160.49 35.11 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.165 0.586 . . . . 0.0 110.462 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -59.72 -44.75 93.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.13 -35.0 79.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.46 -0.775 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.79 -44.98 91.74 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.464 1.029 . . . . 0.0 109.011 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.3 ttp -54.84 -48.48 72.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -60.73 -47.82 84.55 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.8 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.96 -51.13 62.51 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 119.942 1.246 . . . . 0.0 109.034 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -56.27 -54.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.65 -44.12 69.35 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.835 0.826 . . . . 0.0 110.35 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.28 -64.3 1.0 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.5 ttm105 -47.64 -46.82 29.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.79 1.636 . . . . 0.0 112.691 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -90.2 -35.06 15.57 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -114.57 -39.06 3.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.166 0.894 . . . . 0.0 113.209 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 CA-C-N 119.109 0.868 . . . . 0.0 110.962 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 103.676 -2.712 . . . . 0.0 103.676 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mt -110.54 142.01 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.635 0.774 . . . . 0.0 110.405 -176.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -65.96 115.82 6.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.598 1.159 . . . . 0.0 109.122 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.05 -33.04 10.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.368 1.867 . . . . 0.0 114.399 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -74.65 57.26 0.74 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.328 1.051 . . . . 0.0 112.486 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 8.85 -77.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.874 3.269 . . . . 0.0 116.39 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.6 -40.69 20.0 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 125.111 1.365 . . . . 0.0 111.893 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -83.74 69.29 10.16 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 52.24 0.52 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 127.262 2.363 . . . . 0.0 113.248 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.43 146.7 26.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.44 142.68 20.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -151.65 146.68 25.98 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.194 0.452 . . . . 0.0 110.35 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -39.41 75.17 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.883 0.473 . . . . 0.0 110.479 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -78.39 111.46 14.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.352 0.596 . . . . 0.0 111.588 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -40.74 -57.61 1.86 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.091 1.757 . . . . 0.0 110.429 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -53.7 -40.28 65.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.243 1.017 . . . . 0.0 112.467 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -66.03 -46.89 76.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.36 -37.59 87.86 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -60.59 -49.3 78.07 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.799 1.182 . . . . 0.0 109.251 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -43.56 74.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 109.905 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -60.83 -58.28 9.1 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.6 -37.44 49.96 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.753 -0.592 . . . . 0.0 111.972 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -55.27 -30.21 59.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.145 0.43 . . . . 0.0 111.786 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -57.01 -37.35 71.57 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.028 0.376 . . . . 0.0 110.382 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.0 -52.62 4.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.857 0.863 . . . . 0.0 111.521 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -79.55 -29.7 41.46 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.141 1.377 . . . . 0.0 114.526 -172.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.46 6.73 84.6 Favored Glycine 0 CA--C 1.536 1.389 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.29 127.35 31.96 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.154 1.477 . . . . 0.0 109.484 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -126.9 83.68 65.11 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 124.209 1.004 . . . . 0.0 109.432 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -51.54 -22.31 12.36 Favored 'Trans proline' 0 C--N 1.348 0.539 1 C-N-CA 125.807 4.338 . . . . 0.0 118.716 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.12 79.45 1.57 Allowed Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 119.569 1.077 . . . . 0.0 110.302 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -73.75 144.31 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.199 1.933 . . . . 0.0 110.452 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.9 t -86.47 89.64 7.96 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.97 46.01 0.22 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.39 139.21 31.4 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.142 1.777 . . . . 0.0 107.098 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.59 129.41 40.8 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.85 -55.28 3.46 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.1 53.08 0.94 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.811 1.245 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.67 65.24 4.78 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.558 0.743 . . . . 0.0 110.692 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.19 164.15 26.71 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 106.25 0.86 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 108.028 -2.029 . . . . 0.0 108.028 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.03 157.04 18.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.089 0.944 . . . . 0.0 109.665 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -102.78 -1.51 29.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.436 1.094 . . . . 0.0 112.844 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.472 ' HG ' ' CG ' ' A' ' 59' ' ' HIS . 22.9 p -154.25 150.27 27.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 118.847 0.748 . . . . 0.0 110.105 176.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.9 tp -59.92 -37.07 78.41 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.594 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -47.74 85.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.978 -0.451 . . . . 0.0 110.035 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.472 ' CG ' ' HG ' ' A' ' 56' ' ' SER . 3.8 m-70 -57.76 -48.7 78.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 tp -55.44 -40.41 71.53 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.1 m -59.87 -53.41 58.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.074 0.55 . . . . 0.0 109.638 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -62.27 -40.29 95.74 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -55.34 -45.22 76.45 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.551 -0.718 . . . . 0.0 109.891 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.6 m -57.79 -17.52 16.34 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.15 -32.92 71.49 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.048 -1.032 . . . . 0.0 109.345 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.9 p -65.2 -34.13 77.65 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.073 0.397 . . . . 0.0 110.832 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.09 -51.21 9.87 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.738 0.815 . . . . 0.0 109.762 -177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.4 p -69.74 -27.41 64.93 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.247 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.08 20.29 70.44 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.398 0.999 . . . . 0.0 111.41 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.37 52.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.149 0.975 . . . . 0.0 112.151 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -78.26 65.82 3.7 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.217 2.207 . . . . 0.0 107.836 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -102.61 1.28 34.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 -172.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -75.83 83.33 2.77 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 120.181 1.355 . . . . 0.0 109.489 -176.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -79.3 120.75 24.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.147 2.179 . . . . 0.0 110.725 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.71 108.16 1.11 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 172.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -73.76 72.02 1.49 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.957 0.408 . . . . 0.0 110.025 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.0 t -140.55 115.64 9.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.88 130.37 18.01 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 -177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.35 -56.08 4.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.77 44.71 0.47 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.782 1.233 . . . . 0.0 110.074 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.7 53.39 2.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.037 -1.039 . . . . 0.0 109.832 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.82 130.54 42.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.82 122.93 41.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.979 1.311 . . . . 0.0 108.782 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.73 160.26 17.47 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.939 0.895 . . . . 0.0 111.381 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.3 p -70.93 -33.96 71.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.12 1.368 . . . . 0.0 112.741 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 p -137.5 157.23 47.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.902 0.774 . . . . 0.0 110.517 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -57.03 -42.95 81.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.79 95.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.052 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.59 -46.05 91.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.369 0.986 . . . . 0.0 109.126 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.0 ttp -54.01 -49.33 69.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.116 0.566 . . . . 0.0 109.861 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.91 -47.62 85.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.984 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.42 -48.71 71.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.724 1.147 . . . . 0.0 109.262 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -56.78 -54.45 46.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -52.1 -43.16 63.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.152 0.977 . . . . 0.0 110.437 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.96 -62.99 1.4 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -50.15 -41.74 49.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.027 1.331 . . . . 0.0 113.645 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -100.17 -19.7 16.31 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -129.24 -48.93 1.19 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 119.864 1.211 . . . . 0.0 110.637 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.431 0 CA-C-N 119.28 0.946 . . . . 0.0 111.748 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -108.36 142.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.779 0.831 . . . . 0.0 109.816 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.2 t -61.49 119.03 7.78 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.655 1.182 . . . . 0.0 109.648 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -41.16 -42.35 2.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.928 2.091 . . . . 0.0 112.955 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -75.81 63.49 1.67 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.785 1.234 . . . . 0.0 109.104 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.03 -63.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 129.095 2.958 . . . . 0.0 115.405 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.38 -37.5 2.33 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.877 1.671 . . . . 0.0 113.095 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 t -54.65 -34.9 62.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.257 1.423 . . . . 0.0 112.065 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.04 15.36 60.42 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.13 0.871 . . . . 0.0 115.048 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.24 136.7 35.84 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.898 1.349 . . . . 0.0 108.294 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.05 142.36 20.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -153.78 147.71 25.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.327 0.651 . . . . 0.0 109.486 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -74.59 -29.5 61.34 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.638 -0.664 . . . . 0.0 110.661 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -78.54 111.84 15.0 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.889 0.475 . . . . 0.0 111.036 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -50.26 -51.74 42.13 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 124.205 1.002 . . . . 0.0 110.539 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 25.6 p-90 -52.77 -42.33 64.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.14 0.576 . . . . 0.0 110.303 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -70.25 -46.99 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.435 0.694 . . . . 0.0 110.73 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.22 -45.45 94.52 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -57.52 -46.66 83.56 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 -34.38 64.75 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 122.65 0.38 . . . . 0.0 110.489 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.52 -55.04 8.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.379 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -44.0 -39.78 4.32 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.929 0.892 . . . . 0.0 112.504 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 p -43.2 -39.52 2.96 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.12 0.568 . . . . 0.0 112.309 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -53.42 -44.7 68.97 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.922 0.889 . . . . 0.0 112.009 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -91.12 -47.78 7.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.675 0.79 . . . . 0.0 111.58 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -81.8 -28.3 33.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.05 11.34 85.26 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -172.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -76.69 130.54 37.91 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.874 1.337 . . . . 0.0 109.89 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -132.8 80.37 61.37 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.92 -27.12 26.82 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 124.834 3.689 . . . . 0.0 117.803 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -115.19 72.48 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.341 0.973 . . . . 0.0 112.594 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.45 162.04 36.54 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.518 2.145 . . . . 0.0 109.801 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -80.49 -13.61 58.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.611 1.564 . . . . 0.0 112.842 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.66 -47.38 0.67 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.697 1.599 . . . . 0.0 114.313 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -43.04 140.72 1.34 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.279 1.432 . . . . 0.0 112.958 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mp0 -55.09 130.01 40.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.95 -64.14 3.1 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.78 58.93 2.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.31 0.644 . . . . 0.0 109.853 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.67 -30.97 41.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.368 0.667 . . . . 0.0 109.694 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 44.77 -146.15 0.12 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.777 2.031 . . . . 0.0 111.379 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.77 81.65 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -93.01 153.98 18.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 p -93.45 -8.05 42.72 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.454 ' HG ' ' CD2' ' A' ' 58' ' ' HIS . 4.4 p -147.8 161.43 41.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.203 0.91 . . . . 0.0 108.864 177.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.1 -41.4 97.29 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.454 ' CD2' ' HG ' ' A' ' 56' ' ' SER . 10.1 p-80 -69.34 -38.25 78.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.236 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -56.57 -47.37 79.65 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 173.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.13 -38.73 90.07 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.3 m -60.88 -48.68 80.68 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.242 -0.912 . . . . 0.0 110.031 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -60.59 -41.37 94.57 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.801 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -55.43 -45.06 76.79 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.787 0.721 . . . . 0.0 109.973 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 m -55.79 -20.14 13.93 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.9 mt -59.96 -31.78 70.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.354 -0.841 . . . . 0.0 109.704 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.5 p -65.59 -36.35 83.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.257 0.48 . . . . 0.0 111.165 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -78.3 -51.22 10.45 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.813 0.445 . . . . 0.0 110.028 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.0 p -67.61 -27.87 67.26 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.75 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 23.08 71.59 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.089 0.852 . . . . 0.0 111.567 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -79.5 54.26 1.71 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.088 0.944 . . . . 0.0 111.9 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.52 68.06 3.55 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.82 2.448 . . . . 0.0 107.956 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.54 -2.99 21.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.29 85.52 2.47 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 119.975 1.261 . . . . 0.0 109.723 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -78.58 120.19 22.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.664 1.985 . . . . 0.0 110.684 -175.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.03 119.78 8.98 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -76.23 68.11 2.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.638 0.775 . . . . 0.0 109.905 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -143.17 116.08 8.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 132.3 29.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.66 0.784 . . . . 0.0 110.719 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.3 -56.74 4.88 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.75 45.68 0.52 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.699 1.199 . . . . 0.0 109.965 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.75 52.01 2.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 120.887 -1.133 . . . . 0.0 109.366 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.17 135.23 48.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -98.1 121.75 40.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.066 1.346 . . . . 0.0 108.745 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -108.51 159.64 16.53 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.874 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.43 -52.75 23.83 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.312 1.445 . . . . 0.0 111.817 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.1 p -120.42 157.35 29.5 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.346 0.521 . . . . 0.0 110.212 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -58.9 -40.49 84.65 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 174.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.49 90.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.57 -0.706 . . . . 0.0 111.346 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.03 -44.33 96.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 108.788 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.4 ttp -55.18 -47.97 74.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.53 -48.46 81.66 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.768 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -52.69 -50.97 62.25 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.955 1.252 . . . . 0.0 109.071 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -56.26 -54.05 49.95 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -54.87 -42.29 71.87 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.86 0.838 . . . . 0.0 110.302 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -60.66 -59.9 4.65 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -54.92 -42.95 72.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.563 1.545 . . . . 0.0 113.164 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -94.42 -27.55 15.97 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -125.66 -45.0 1.79 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 119.39 0.995 . . . . 0.0 113.133 -172.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 119.168 0.894 . . . . 0.0 111.899 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.45 147.56 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.191 0.997 . . . . 0.0 108.871 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -72.97 112.82 9.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.706 1.603 . . . . 0.0 108.566 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -41.88 -35.15 0.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.097 2.159 . . . . 0.0 113.563 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.01 81.58 0.31 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.949 0.9 . . . . 0.0 109.608 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 65.35 0.08 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.482 2.313 . . . . 0.0 110.499 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -164.28 -50.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 130.016 3.327 . . . . 0.0 104.394 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.1 t -70.61 -51.65 26.74 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.12 40.43 66.7 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.882 0.754 . . . . 0.0 114.527 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.23 167.39 20.36 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.95 148.88 15.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.393 -0.817 . . . . 0.0 108.929 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -148.7 154.05 39.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.507 0.594 . . . . 0.0 110.052 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -45.17 62.78 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -89.9 137.66 32.15 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -176.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.12 -50.12 70.03 Favored 'General case' 0 C--O 1.227 -0.111 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.546 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -52.82 -42.27 64.98 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.729 0.812 . . . . 0.0 111.304 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.03 -48.9 72.22 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.6 -36.26 83.23 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.154 -0.341 . . . . 0.0 110.098 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.25 -47.4 82.56 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 120.811 -1.18 . . . . 0.0 109.537 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.02 -46.0 75.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -57.46 -54.19 49.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.789 174.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -52.11 -32.29 34.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 118.491 -0.766 . . . . 0.0 112.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.6 p -54.06 -30.86 49.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.727 1.149 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -51.57 -45.19 62.99 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.86 -47.34 7.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 112.165 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 p -85.41 -27.78 25.54 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -172.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.44 12.39 80.11 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -173.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.04 144.27 38.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.896 1.348 . . . . 0.0 110.2 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -132.48 79.13 65.93 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 124.323 1.049 . . . . 0.0 108.189 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.82 -27.13 10.76 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 125.224 3.949 . . . . 0.0 118.484 -175.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.87 81.59 2.66 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 119.243 0.929 . . . . 0.0 111.507 -174.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.15 156.12 37.86 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 121.716 1.611 . . . . 0.0 110.518 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.2 t -89.28 -37.23 15.09 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 53.05 30.81 10.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.064 0.945 . . . . 0.0 113.357 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.82 163.67 15.57 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.471 0.653 . . . . 0.0 109.491 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -56.56 108.09 0.45 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.619 1.167 . . . . 0.0 108.769 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.71 -48.77 2.99 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.1 t -75.76 59.42 1.2 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.573 1.549 . . . . 0.0 110.298 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 59.76 5.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -66.82 162.03 22.49 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 122.046 -0.409 . . . . 0.0 110.477 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.75 105.72 0.79 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.05 149.69 24.32 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.364 1.082 . . . . 0.0 110.248 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -93.37 -1.9 55.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.065 0.946 . . . . 0.0 113.247 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 p -150.92 153.67 35.7 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.624 1.102 . . . . 0.0 111.442 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.31 -38.56 89.86 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -47.38 85.74 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -55.66 -48.45 75.0 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.68 -44.97 90.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 110.76 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 m -58.82 -56.61 20.01 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 110.316 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -60.97 -40.82 94.85 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.999 -0.438 . . . . 0.0 110.09 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -56.17 -44.3 79.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.592 -0.693 . . . . 0.0 109.856 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.3 m -56.42 -20.42 19.64 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -32.9 70.77 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.483 -0.76 . . . . 0.0 109.597 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 p -68.37 -34.13 75.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.014 0.37 . . . . 0.0 111.436 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.12 -48.81 19.27 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.3 p -69.35 -24.71 63.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.553 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.54 61.03 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.04 61.96 4.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 122.076 0.941 . . . . 0.0 111.862 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -78.63 68.41 4.6 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -99.21 -14.78 19.16 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -74.47 88.6 2.12 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.446 1.021 . . . . 0.0 110.27 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.81 125.5 29.44 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.605 1.962 . . . . 0.0 111.429 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.62 118.67 8.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -75.24 72.92 2.34 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 t -148.55 113.15 5.35 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.51 132.89 30.33 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.507 0.723 . . . . 0.0 110.679 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.27 -56.47 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.94 47.5 0.65 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.529 1.132 . . . . 0.0 109.826 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.92 51.12 1.97 Allowed 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 120.869 -1.145 . . . . 0.0 109.579 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.21 134.75 50.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.59 136.95 40.57 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -119.13 161.97 19.41 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -46.33 80.46 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.576 1.55 . . . . 0.0 112.041 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.6 p -129.68 160.34 33.65 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.164 0.506 . . . . 0.0 110.625 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.08 -50.7 70.29 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.995 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.78 78.92 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.47 -178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.53 -44.23 96.87 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.921 1.237 . . . . 0.0 109.002 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -57.16 -44.51 83.56 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.11 -49.99 75.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.105 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -51.61 -52.61 46.16 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 119.327 0.967 . . . . 0.0 109.05 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -56.13 -54.02 50.13 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.339 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.37 -44.44 65.28 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.457 0.646 . . . . 0.0 110.692 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -63.31 -57.16 11.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.13 0.972 . . . . 0.0 109.857 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.14 -35.28 66.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.952 2.101 . . . . 0.0 113.123 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -107.53 -21.11 13.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -130.39 -60.98 0.98 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 119.969 1.258 . . . . 0.0 110.526 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 O-C-N 121.677 -0.639 . . . . 0.0 110.816 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -100.1 142.54 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.342 0.657 . . . . 0.0 110.353 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.3 t -61.21 121.38 12.41 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 110.161 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -44.05 -40.97 5.18 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.663 1.985 . . . . 0.0 113.051 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.46 63.85 1.52 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 109.473 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.5 -65.17 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.075 2.95 . . . . 0.0 115.519 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.79 -36.99 2.51 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.894 1.677 . . . . 0.0 113.146 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.39 -34.88 62.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.418 1.487 . . . . 0.0 111.896 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.0 25.68 62.24 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.238 0.923 . . . . 0.0 114.304 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.61 143.11 27.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.35 145.49 24.61 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -148.32 151.24 35.02 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.33 0.652 . . . . 0.0 109.563 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -82.06 -38.05 25.51 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 109.926 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -77.42 120.09 21.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.7 -48.77 74.56 Favored 'General case' 0 N--CA 1.458 -0.046 0 O-C-N 122.089 -0.382 . . . . 0.0 110.287 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.61 -40.45 65.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.694 0.798 . . . . 0.0 111.317 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -66.46 -46.22 77.13 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 tp -60.46 -39.85 89.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.801 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -60.12 -47.51 85.62 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.605 1.093 . . . . 0.0 109.586 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.74 -37.71 71.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.241 0.616 . . . . 0.0 110.514 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.62 -59.05 3.66 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.798 -0.564 . . . . 0.0 109.487 175.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -49.39 -35.04 17.8 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 125.135 1.374 . . . . 0.0 112.016 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 p -51.56 -32.92 30.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.487 0.585 . . . . 0.0 111.474 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.49 -38.51 81.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.826 0.451 . . . . 0.0 111.494 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.53 -47.93 7.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.485 0.714 . . . . 0.0 111.234 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -85.22 -30.47 23.84 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -172.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.77 7.23 88.34 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -78.42 137.47 38.0 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.957 1.379 . . . . 0.0 110.766 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -132.03 79.94 65.88 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.669 1.188 . . . . 0.0 108.112 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.33 -20.77 12.04 Favored 'Trans proline' 0 C--N 1.347 0.486 1 C-N-CA 125.356 4.037 . . . . 0.0 118.278 -174.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.37 79.11 2.08 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 119.471 1.032 . . . . 0.0 110.356 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.23 148.76 31.05 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.404 2.069 . . . . 0.0 110.789 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.8 t -90.49 88.73 7.27 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -73.25 47.24 0.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -94.36 152.16 18.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.277 1.031 . . . . 0.0 108.833 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -62.9 130.53 45.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -57.61 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.8 t -77.3 52.12 0.9 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.445 1.098 . . . . 0.0 110.589 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.23 64.84 5.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.987 0.915 . . . . 0.0 109.958 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -74.05 166.42 23.42 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.039 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.99 109.51 0.99 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 108.248 -1.941 . . . . 0.0 108.248 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -112.75 158.64 19.84 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.878 0.839 . . . . 0.0 109.514 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 p -99.46 -9.99 22.72 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.6 p -148.19 157.59 43.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.211 0.914 . . . . 0.0 109.81 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.09 -41.13 82.82 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -60.02 -55.02 39.16 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.158 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -53.25 -43.31 67.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.625 0.648 . . . . 0.0 109.385 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.89 -44.95 94.71 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.933 -0.479 . . . . 0.0 111.246 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.8 m -62.11 -49.63 75.14 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.359 -0.838 . . . . 0.0 110.66 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -40.43 97.4 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -55.59 -44.55 77.05 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.419 -0.801 . . . . 0.0 109.44 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 m -57.7 -15.56 8.22 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.11 -34.3 70.06 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.76 1.164 . . . . 0.0 109.081 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -63.16 -31.77 73.0 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.284 0.234 . . . . 0.0 111.343 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -83.81 -52.77 6.11 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.962 0.905 . . . . 0.0 109.996 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.4 p -65.7 -30.12 70.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.178 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 24.97 66.21 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.723 0.678 . . . . 0.0 111.668 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.38 55.1 1.84 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.086 0.945 . . . . 0.0 110.775 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -78.78 67.6 4.55 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.206 2.203 . . . . 0.0 105.744 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -107.51 -6.51 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -75.33 87.06 2.52 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.033 0.833 . . . . 0.0 108.983 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.9 m -82.12 123.87 29.35 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 126.464 1.906 . . . . 0.0 110.504 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.0 t -61.96 115.34 3.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -74.57 72.08 1.9 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 109.976 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -148.19 116.95 6.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.76 135.06 30.06 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.456 0.703 . . . . 0.0 110.483 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.54 -59.16 4.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.34 48.02 0.73 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.67 0.788 . . . . 0.0 109.996 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.08 53.27 2.4 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 120.928 -1.108 . . . . 0.0 108.812 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.5 mt -71.38 129.66 39.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -94.59 131.2 40.6 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.42 1.088 . . . . 0.0 109.16 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -118.68 157.27 27.77 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 111.184 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -69.8 -55.25 10.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.589 1.155 . . . . 0.0 111.381 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.3 p -115.13 152.97 31.62 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.235 0.614 . . . . 0.0 109.907 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -57.34 -40.56 78.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.01 89.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.624 -0.672 . . . . 0.0 111.249 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.404 1.002 . . . . 0.0 108.984 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.7 ttp -55.08 -46.4 75.45 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -61.54 -47.86 83.62 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.787 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -53.34 -49.35 67.29 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 119.764 1.165 . . . . 0.0 109.393 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -56.33 -54.57 43.85 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -52.55 -46.06 66.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.183 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -57.96 -67.44 0.34 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.347 1.059 . . . . 0.0 108.88 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -49.57 -37.26 26.68 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.931 1.692 . . . . 0.0 113.574 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -98.44 -68.56 0.8 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.774 0.829 . . . . 0.0 112.484 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -78.0 -37.5 46.99 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.062 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.41 142.89 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.574 0.749 . . . . 0.0 109.687 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.41 120.33 10.27 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.617 1.167 . . . . 0.0 110.138 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.5 -42.67 3.39 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.811 2.045 . . . . 0.0 112.766 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -75.5 63.87 1.55 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.624 1.169 . . . . 0.0 109.31 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.42 -64.09 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 129.082 2.953 . . . . 0.0 115.452 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.05 -36.75 2.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.766 1.626 . . . . 0.0 113.201 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.5 t -55.02 -34.1 63.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.304 1.442 . . . . 0.0 111.866 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 22.32 62.44 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.496 1.046 . . . . 0.0 114.909 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.85 141.92 28.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.54 1.17 . . . . 0.0 108.907 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.45 144.98 21.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.732 -0.652 . . . . 0.0 109.382 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -154.42 148.5 25.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.504 0.593 . . . . 0.0 110.08 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.81 -53.01 20.22 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -72.95 113.16 9.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.516 0.674 . . . . 0.0 110.675 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -35.66 -56.01 0.68 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 127.372 2.269 . . . . 0.0 111.686 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -54.29 -37.64 65.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.428 1.091 . . . . 0.0 112.983 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -68.2 -46.12 71.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -38.63 91.84 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -59.72 -48.36 81.99 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.82 -1.175 . . . . 0.0 109.891 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.41 75.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -59.73 -54.76 42.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.949 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 mp -48.99 -41.66 35.15 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.51 -0.744 . . . . 0.0 112.347 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.8 p -50.82 -32.61 20.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.712 0.687 . . . . 0.0 111.875 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -55.39 -40.87 71.91 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.001 0.521 . . . . 0.0 110.949 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.97 -51.37 5.23 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.988 0.915 . . . . 0.0 111.618 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 p -77.68 -30.17 51.8 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.294 1.438 . . . . 0.0 114.138 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.87 9.84 79.88 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -78.04 144.65 36.43 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.898 1.349 . . . . 0.0 110.45 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -132.53 77.33 70.03 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 0.0 109.399 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.4 -25.1 9.74 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 125.131 3.887 . . . . 0.0 118.5 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.51 79.17 2.21 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 119.748 1.158 . . . . 0.0 112.391 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.93 148.34 45.36 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 121.962 1.775 . . . . 0.0 109.818 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.01 -6.64 48.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.976 0.91 . . . . 0.0 113.413 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 72.04 -46.72 0.65 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.354 1.862 . . . . 0.0 113.884 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -48.93 118.84 2.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.286 1.034 . . . . 0.0 111.734 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -73.06 65.54 0.78 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.708 1.603 . . . . 0.0 110.097 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.18 -68.73 0.1 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.3 t -79.76 55.34 2.02 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.58 62.14 4.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.473 -0.767 . . . . 0.0 110.484 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -71.57 154.71 41.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.39 102.22 0.86 Allowed Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.537 -2.225 . . . . 0.0 107.537 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.99 147.17 24.77 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.083 0.941 . . . . 0.0 109.854 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -90.26 -9.6 47.37 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.5 p -147.05 154.18 40.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.941 0.791 . . . . 0.0 111.064 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.02 -33.23 74.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.595 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -63.81 -46.32 85.67 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.491 -0.755 . . . . 0.0 110.297 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.13 -47.9 77.26 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 tp -54.75 -45.67 74.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.363 0.665 . . . . 0.0 110.075 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.2 m -58.54 -53.71 55.28 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.991 0.516 . . . . 0.0 110.223 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -63.92 -39.31 93.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.428 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -56.16 -43.5 78.38 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.281 -0.887 . . . . 0.0 109.638 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 m -55.3 -19.8 9.56 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.3 -34.43 68.69 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.205 0.911 . . . . 0.0 109.586 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 p -68.3 -34.96 77.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.948 0.499 . . . . 0.0 111.533 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -76.82 -46.88 23.17 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.9 p -67.79 -27.34 66.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.36 0.264 . . . . 0.0 110.837 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.62 30.66 47.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -79.93 50.28 1.18 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.91 0.862 . . . . 0.0 111.604 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -81.29 66.86 7.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -124.48 6.23 8.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -76.78 86.44 3.38 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -77.37 122.44 25.15 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.551 1.94 . . . . 0.0 111.044 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.8 t -61.91 117.71 6.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.48 73.76 1.92 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 t -148.94 113.61 5.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.15 131.64 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.836 0.854 . . . . 0.0 110.902 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.52 -55.88 4.87 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.61 44.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.974 1.309 . . . . 0.0 109.991 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -83.61 53.39 2.51 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.965 -1.084 . . . . 0.0 109.605 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.26 132.45 45.73 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -98.75 116.61 31.37 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.432 1.093 . . . . 0.0 109.879 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -100.83 161.96 13.23 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.58 0.752 . . . . 0.0 111.074 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -70.21 -55.73 8.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.043 1.337 . . . . 0.0 110.84 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.5 p -109.84 152.97 25.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 110.471 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -55.28 -45.68 76.16 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.98 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.397 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.28 -44.0 95.72 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.898 1.226 . . . . 0.0 108.778 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -58.01 -46.12 85.78 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.53 -51.09 71.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.593 0.633 . . . . 0.0 110.087 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -52.92 -53.8 44.16 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.645 0.778 . . . . 0.0 109.441 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -55.28 -53.7 52.73 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.105 0.411 . . . . 0.0 110.265 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -53.25 -46.61 69.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.689 0.757 . . . . 0.0 109.662 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -59.85 -62.97 1.48 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.164 0.586 . . . . 0.0 109.757 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -45.9 -46.75 16.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.293 2.237 . . . . 0.0 112.309 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -94.25 -25.04 17.21 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -122.75 -30.05 3.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.059 1.3 . . . . 0.0 113.598 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.623 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.1 mt -106.68 144.23 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.958 0.903 . . . . 0.0 110.289 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.63 119.49 10.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.821 1.249 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.44 -41.06 5.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.745 2.018 . . . . 0.0 112.349 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -75.37 66.11 1.76 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.34 1.056 . . . . 0.0 108.822 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -18.36 -61.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 129.026 2.93 . . . . 0.0 115.077 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.09 -38.36 2.34 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.809 1.644 . . . . 0.0 113.02 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -56.05 -35.87 67.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.862 1.265 . . . . 0.0 112.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.25 27.38 60.26 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.18 0.895 . . . . 0.0 113.982 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.05 142.68 27.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.52 145.95 24.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 118.418 -0.801 . . . . 0.0 108.889 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -149.01 149.25 30.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.415 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -53.47 -50.54 65.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.286 1.434 . . . . 0.0 114.111 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -95.79 143.47 26.99 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.53 -49.13 73.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.322 175.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.0 p-90 -54.16 -40.88 67.88 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.286 0.494 . . . . 0.0 111.501 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -67.05 -48.37 68.5 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.06 -44.1 93.45 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -47.01 77.63 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.269 -0.894 . . . . 0.0 110.125 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.94 71.79 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -49.73 -49.53 47.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.809 0.731 . . . . 0.0 110.625 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -54.05 -22.37 10.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.672 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 p -54.84 -33.15 61.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.695 1.134 . . . . 0.0 110.531 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -53.12 -45.73 68.43 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 123.238 0.615 . . . . 0.0 111.611 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -90.17 -46.1 8.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.459 0.703 . . . . 0.0 111.921 -174.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -83.95 -26.97 28.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -174.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.99 9.92 80.36 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -78.38 156.82 29.29 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.525 1.163 . . . . 0.0 111.671 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -134.18 76.56 63.13 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.81 -24.56 3.12 Favored 'Trans proline' 0 CA--C 1.534 0.485 1 C-N-CA 126.091 4.527 . . . . 0.0 119.012 -173.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -113.65 84.99 8.7 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 111.23 -175.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.01 142.61 28.04 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.279 1.986 . . . . 0.0 111.261 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -90.44 93.01 9.13 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -76.01 50.82 0.62 Allowed 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.474 -0.766 . . . . 0.0 112.391 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.08 159.86 14.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.44 1.496 . . . . 0.0 109.917 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.48 123.27 20.35 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.28 -52.92 3.06 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.228 0.442 . . . . 0.0 112.269 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.46 55.71 1.03 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.811 1.244 . . . . 0.0 110.62 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.97 64.46 4.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.611 0.765 . . . . 0.0 109.614 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -73.0 164.29 26.92 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.672 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.03 107.81 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.39 -2.684 . . . . 0.0 106.39 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -101.66 147.63 26.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.092 0.946 . . . . 0.0 110.115 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -85.66 -17.87 34.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.19 0.996 . . . . 0.0 112.962 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.422 ' HG ' ' CG ' ' A' ' 59' ' ' HIS . 26.0 p -142.02 155.46 45.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.293 0.951 . . . . 0.0 112.04 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.18 -39.89 88.05 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.369 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -43.23 94.85 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.912 -0.566 . . . . 0.0 110.276 178.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CG ' ' HG ' ' A' ' 56' ' ' SER . 61.6 m170 -55.64 -46.63 77.43 Favored 'General case' 0 C--N 1.344 0.327 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.34 -45.75 92.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.139 0.495 . . . . 0.0 110.65 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.9 m -57.49 -56.03 27.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 110.186 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -63.27 -38.89 92.94 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.865 -0.522 . . . . 0.0 110.166 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -55.77 -41.37 73.93 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.377 -0.827 . . . . 0.0 109.546 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -56.17 -19.24 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.98 -33.38 70.6 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.271 -0.893 . . . . 0.0 109.463 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -67.64 -34.64 77.37 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.181 0.446 . . . . 0.0 111.367 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -77.31 -50.59 12.5 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.1 p -67.64 -28.58 67.84 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.269 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.16 67.02 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.663 1.125 . . . . 0.0 111.318 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -79.77 50.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.295 1.047 . . . . 0.0 112.353 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -78.79 63.44 3.53 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.329 2.251 . . . . 0.0 107.63 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -99.25 0.57 43.42 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -75.87 83.7 2.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.963 1.256 . . . . 0.0 109.79 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -79.66 119.42 22.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 127.511 2.324 . . . . 0.0 110.51 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -59.93 114.98 3.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.98 72.65 2.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -144.44 116.29 8.27 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.49 129.35 18.89 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.995 0.918 . . . . 0.0 110.898 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.56 -54.68 4.63 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.7 t -77.54 48.53 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.713 1.205 . . . . 0.0 109.969 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.64 52.86 2.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 120.951 -1.093 . . . . 0.0 109.574 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.31 131.73 45.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.21 125.86 42.02 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 124.893 1.277 . . . . 0.0 108.953 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -114.8 159.41 20.64 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.876 0.87 . . . . 0.0 111.432 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -69.24 -39.98 78.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.177 1.391 . . . . 0.0 112.409 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -132.76 156.84 46.35 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.259 0.552 . . . . 0.0 110.582 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.01 -42.96 91.4 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.585 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.562 -0.711 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.6 -47.05 87.11 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.905 0.775 . . . . 0.0 108.977 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.3 ttp -55.3 -48.71 73.7 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.022 0.529 . . . . 0.0 110.369 176.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -59.63 -50.96 71.83 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.875 0.87 . . . . 0.0 110.299 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -55.35 -46.65 76.41 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.764 0.711 . . . . 0.0 109.801 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -57.89 -55.1 39.28 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.238 0.472 . . . . 0.0 109.853 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -51.65 -44.58 63.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.742 0.782 . . . . 0.0 109.403 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -60.76 -61.78 2.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.825 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -46.75 -46.91 20.74 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.996 1.318 . . . . 0.0 112.557 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -95.33 -23.25 17.28 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -125.35 -23.56 4.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.809 1.186 . . . . 0.0 113.713 -173.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 N--CA 1.463 0.191 0 CA-C-N 119.554 1.07 . . . . 0.0 108.372 176.885 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.8 mt -88.9 144.62 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.613 0.765 . . . . 0.0 112.627 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.89 127.88 34.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.351 1.86 . . . . 0.0 110.44 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.17 -43.25 9.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.137 1.775 . . . . 0.0 112.422 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -75.89 64.74 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.907 0.883 . . . . 0.0 109.073 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.23 -62.47 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.797 2.839 . . . . 0.0 115.336 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.13 -37.56 2.09 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.862 1.665 . . . . 0.0 113.129 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.01 -35.76 59.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.448 1.499 . . . . 0.0 112.038 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.62 23.22 62.67 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.898 0.761 . . . . 0.0 114.1 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.09 144.27 26.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.73 144.52 24.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.333 -0.842 . . . . 0.0 109.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -146.06 156.06 43.21 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.889 0.768 . . . . 0.0 112.118 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -73.12 -29.99 63.3 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -173.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -114.62 142.51 46.36 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.623 0.769 . . . . 0.0 110.364 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.37 -47.76 80.8 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.614 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.52 -41.48 66.42 Favored 'General case' 0 C--N 1.341 0.236 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -66.58 -46.74 74.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.98 -40.05 79.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.52 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -61.7 -45.73 92.72 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.699 0.682 . . . . 0.0 109.83 177.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.98 68.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.435 0.694 . . . . 0.0 110.228 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -69.03 -59.28 3.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.3 mt -48.96 -30.82 6.43 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 125.009 1.323 . . . . 0.0 112.751 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 p -49.79 -34.86 20.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.711 0.687 . . . . 0.0 111.108 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.1 -35.79 77.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.786 0.434 . . . . 0.0 111.941 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -90.22 -48.18 7.32 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.165 0.586 . . . . 0.0 111.151 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -87.2 -28.14 22.58 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 9.44 86.98 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -172.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -77.54 139.98 39.66 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.861 1.331 . . . . 0.0 111.405 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -135.53 80.08 45.93 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.74 -25.95 4.12 Favored 'Trans proline' 0 C--N 1.348 0.507 1 C-N-CA 125.853 4.369 . . . . 0.0 118.76 -174.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.32 80.34 2.5 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 119.182 0.901 . . . . 0.0 110.634 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.91 150.58 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.54 2.16 . . . . 0.0 111.61 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.8 t -91.18 82.94 5.49 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -73.28 51.54 0.33 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -95.23 158.38 15.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.048 1.339 . . . . 0.0 108.731 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -64.41 129.16 38.81 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.03 -57.14 3.15 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.943 -0.473 . . . . 0.0 112.318 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.6 t -77.27 51.43 0.85 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.263 1.025 . . . . 0.0 110.933 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.32 66.29 4.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.896 0.879 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -74.75 167.45 21.79 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.145 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.45 113.0 1.28 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -115.0 150.2 36.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.056 0.928 . . . . 0.0 109.789 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -87.29 -12.38 46.74 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -146.46 160.27 42.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.18 0.9 . . . . 0.0 109.466 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.89 -42.65 99.85 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -67.67 -39.46 84.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.866 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -58.22 -47.12 84.48 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.07 -42.45 90.39 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.407 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 m -61.04 -52.8 63.45 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.592 -0.693 . . . . 0.0 111.039 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -55.77 -39.53 71.35 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.723 0.692 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.23 -49.95 73.7 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.4 m -51.21 -31.38 20.24 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.591 0.756 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.5 mt -50.49 -31.98 16.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.56 0.618 . . . . 0.0 111.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.5 p -64.72 -29.86 70.86 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.162 -0.336 . . . . 0.0 111.715 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.24 -48.79 15.0 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 123.915 0.886 . . . . 0.0 109.453 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.1 p -71.44 -24.83 62.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.379 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 33.04 44.71 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.11 56.87 2.53 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 122.011 0.91 . . . . 0.0 111.217 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -78.99 77.31 5.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -122.99 -4.27 8.54 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.83 86.42 2.81 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.99 1.268 . . . . 0.0 108.351 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.9 m -77.27 118.53 19.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.065 1.746 . . . . 0.0 111.356 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.49 117.4 4.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -75.22 70.95 2.2 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.867 0.467 . . . . 0.0 110.156 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -147.17 118.54 7.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.74 139.31 26.83 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.95 0.5 . . . . 0.0 109.794 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.79 -61.05 4.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.24 49.34 0.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.646 0.778 . . . . 0.0 110.233 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -83.07 51.71 2.01 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 120.993 -1.067 . . . . 0.0 108.739 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.78 129.85 39.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -98.68 123.04 42.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.92 160.92 14.4 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.041 0.936 . . . . 0.0 110.613 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -70.41 -38.44 74.61 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.671 1.188 . . . . 0.0 112.217 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.0 p -131.17 156.42 45.34 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.309 0.504 . . . . 0.0 110.2 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -57.05 -45.71 82.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.59 87.87 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.762 -0.637 . . . . 0.0 111.535 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.8 -44.88 96.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.597 1.089 . . . . 0.0 108.972 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.1 ttp -56.47 -47.98 78.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.975 0.51 . . . . 0.0 109.864 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -58.42 -50.19 74.6 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.346 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.8 -48.86 72.23 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.328 0.967 . . . . 0.0 109.641 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -53.36 -52.15 60.17 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -56.7 -46.8 81.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.167 0.508 . . . . 0.0 111.149 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.04 -37.33 76.74 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.577 1.551 . . . . 0.0 110.634 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -79.2 -38.1 36.62 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.059 0.944 . . . . 0.0 111.456 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -97.92 -74.28 0.58 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -174.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.28 -28.98 61.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.008 0.523 . . . . 0.0 112.374 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 176.121 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 104.391 -2.448 . . . . 0.0 104.391 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 143.98 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.886 0.875 . . . . 0.0 109.963 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.51 117.24 7.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.716 1.206 . . . . 0.0 110.197 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -43.2 -40.32 3.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 126.923 2.089 . . . . 0.0 112.905 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.71 65.33 1.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.482 1.113 . . . . 0.0 109.336 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.89 -63.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 129.009 2.923 . . . . 0.0 115.241 -177.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.81 -37.86 2.98 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.722 1.609 . . . . 0.0 113.059 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.6 t -56.23 -34.65 66.54 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.017 1.327 . . . . 0.0 112.031 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.7 27.17 61.16 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.405 1.002 . . . . 0.0 114.193 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.85 142.98 27.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 118.103 0.952 . . . . 0.0 108.918 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.78 148.94 25.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -147.29 158.67 44.05 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.005 0.522 . . . . 0.0 110.546 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -75.02 -53.12 9.47 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 124.042 0.937 . . . . 0.0 111.559 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -82.19 129.38 34.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.795 -0.565 . . . . 0.0 110.758 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -49.37 -48.8 46.54 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.403 0.681 . . . . 0.0 111.296 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -55.62 -36.57 67.11 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.103 0.961 . . . . 0.0 112.562 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -66.86 -48.24 69.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.51 -35.03 79.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.021 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.07 -50.44 73.71 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 120.705 -1.247 . . . . 0.0 109.359 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.79 79.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -57.81 -54.26 48.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.185 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.01 -36.57 63.13 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.736 -0.603 . . . . 0.0 111.964 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.5 p -54.38 -31.33 54.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.217 0.917 . . . . 0.0 111.615 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.01 -39.5 74.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.31 0.504 . . . . 0.0 111.066 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -90.75 -49.88 6.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.447 0.699 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -80.28 -30.62 38.32 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -172.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.13 8.1 82.8 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -172.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.79 152.61 31.3 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.824 1.312 . . . . 0.0 110.684 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -131.55 77.28 73.59 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.477 1.111 . . . . 0.0 108.278 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -50.99 -21.03 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.388 1 C-N-CA 125.588 4.192 . . . . 0.0 118.694 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -112.1 79.03 2.59 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 119.778 1.172 . . . . 0.0 111.133 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.29 139.18 28.75 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.669 2.246 . . . . 0.0 110.019 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.81 -20.85 48.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.958 0.903 . . . . 0.0 111.381 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 66.38 -38.82 0.31 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.922 2.089 . . . . 0.0 116.337 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -42.96 137.46 2.37 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.266 1.026 . . . . 0.0 112.773 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -55.2 130.9 43.92 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.6 -61.74 3.58 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.11 47.51 0.67 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.507 1.123 . . . . 0.0 110.432 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -84.71 60.21 6.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.99 155.74 35.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.252 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.28 100.53 0.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 106.764 -2.535 . . . . 0.0 106.764 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -96.55 148.77 22.49 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.274 1.037 . . . . 0.0 109.97 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -96.18 -7.57 35.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.397 1.079 . . . . 0.0 112.194 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 p -147.08 139.06 24.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.599 0.636 . . . . 0.0 111.841 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.49 -45.82 73.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.48 1.112 . . . . 0.0 110.334 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -56.27 -44.35 79.68 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -63.14 -47.44 82.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.6 -45.6 77.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.464 0.649 . . . . 0.0 110.267 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -56.85 -57.48 12.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.505 0.722 . . . . 0.0 110.167 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -67.64 -32.69 73.55 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.126 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.52 -42.97 71.48 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.175 -0.953 . . . . 0.0 108.806 174.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.5 m -53.81 -23.98 14.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.97 -33.85 58.1 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.433 1.015 . . . . 0.0 110.499 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.9 p -65.14 -30.73 71.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.373 0.269 . . . . 0.0 110.965 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.74 -49.05 12.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 124.348 1.059 . . . . 0.0 109.551 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 p -70.23 -23.72 62.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.483 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.84 55.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.01 46.26 0.79 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.758 -0.848 . . . . 0.0 111.936 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.82 66.62 4.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.968 2.107 . . . . 0.0 108.46 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -112.57 1.83 15.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -173.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.13 88.11 2.44 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 120.022 1.283 . . . . 0.0 109.574 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.5 m -77.02 119.62 20.99 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 126.313 1.845 . . . . 0.0 111.949 -173.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.69 122.16 12.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -75.38 68.85 2.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.062 0.945 . . . . 0.0 109.819 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -148.05 116.75 6.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.85 135.69 41.58 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.294 0.638 . . . . 0.0 110.151 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.13 -58.08 4.84 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.4 t -78.21 49.94 0.87 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.749 0.819 . . . . 0.0 109.923 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -83.19 52.13 2.13 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.925 -1.109 . . . . 0.0 108.864 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.52 129.76 40.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -101.39 121.01 41.15 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -105.16 166.74 10.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.36 1.064 . . . . 0.0 111.925 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -67.59 -54.81 16.67 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.377 1.871 . . . . 0.0 112.945 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.8 p -126.47 155.83 41.64 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.37 -40.24 61.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.116 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.71 -27.72 69.46 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.172 0.896 . . . . 0.0 112.807 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -67.0 -46.99 72.86 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.99 -45.73 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.02 0.928 . . . . 0.0 109.462 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.03 -50.55 72.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.494 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -50.76 -52.97 35.6 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 119.321 0.964 . . . . 0.0 109.061 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -53.59 -54.01 43.6 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.626 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.4 -49.16 73.09 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.327 0.512 . . . . 0.0 110.963 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -54.63 -44.63 73.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.774 1.629 . . . . 0.0 110.27 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -74.87 -32.06 61.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 112.299 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -104.86 -78.13 0.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -174.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -75.79 -24.97 56.01 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 124.028 0.931 . . . . 0.0 113.235 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.328 -0.343 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 176.445 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.34 141.61 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.2 118.75 7.25 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.087 1.755 . . . . 0.0 110.775 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -50.05 -33.75 19.33 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.212 1.805 . . . . 0.0 113.197 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -70.79 76.18 0.62 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.723 0.809 . . . . 0.0 109.011 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.4 69.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.966 2.507 . . . . 0.0 113.58 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -172.28 -50.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 130.143 3.377 . . . . 0.0 104.862 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -83.32 72.42 10.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.73 53.89 0.22 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 127.132 2.301 . . . . 0.0 113.774 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.59 152.4 20.3 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.623 1.169 . . . . 0.0 108.057 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.94 144.52 22.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.319 -0.848 . . . . 0.0 108.979 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -148.21 148.68 30.79 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -34.96 -51.68 0.52 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.818 2.447 . . . . 0.0 116.717 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -123.04 155.59 36.57 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -54.53 -48.14 72.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.675 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 -58.71 -39.52 81.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.596 0.758 . . . . 0.0 110.065 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -48.73 76.38 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.34 -42.74 87.54 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.017 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.56 -45.7 84.83 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 119.322 0.965 . . . . 0.0 110.215 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.24 76.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.298 -0.251 . . . . 0.0 110.685 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -65.95 -55.71 15.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.661 174.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.39 -34.43 34.38 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 124.34 1.056 . . . . 0.0 112.267 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -52.26 -30.33 27.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.733 0.697 . . . . 0.0 111.282 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.53 -35.68 72.67 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.981 0.512 . . . . 0.0 110.629 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -90.36 -51.13 5.58 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.302 1.041 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 p -87.31 -24.46 24.3 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.13 10.09 77.59 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.88 143.5 37.7 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.664 1.232 . . . . 0.0 109.75 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -131.18 77.95 73.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -46.5 -27.29 4.96 Favored 'Trans proline' 0 C--N 1.345 0.393 1 C-N-CA 125.421 4.08 . . . . 0.0 119.009 -174.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.1 83.15 3.61 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 119.685 1.13 . . . . 0.0 111.715 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.78 141.61 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.186 1.924 . . . . 0.0 110.918 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.55 85.83 7.15 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -75.04 55.84 0.74 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.374 -0.829 . . . . 0.0 111.774 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -94.3 170.91 9.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.098 1.759 . . . . 0.0 109.854 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.51 113.67 7.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 -46.82 2.04 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.408 0.527 . . . . 0.0 113.571 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.8 t -75.66 57.78 1.02 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.788 1.235 . . . . 0.0 111.012 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -78.84 65.53 4.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.77 0.828 . . . . 0.0 110.496 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -73.36 162.51 29.25 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.27 104.59 0.82 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.844 -2.502 . . . . 0.0 106.844 176.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.74 140.92 34.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.202 1.001 . . . . 0.0 109.094 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -81.94 -12.1 58.55 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.694 -0.628 . . . . 0.0 112.487 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 p -148.06 155.7 41.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.385 0.993 . . . . 0.0 112.126 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.893 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -60.93 -46.0 92.42 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.719 -0.613 . . . . 0.0 110.348 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -56.81 -48.42 78.01 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.6 -42.35 74.7 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.27 0.628 . . . . 0.0 110.159 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.9 m -61.44 -54.67 40.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.119 0.568 . . . . 0.0 109.932 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -62.39 -38.25 88.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.004 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -58.36 -45.37 88.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.541 -0.724 . . . . 0.0 110.557 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 p -55.07 -22.02 14.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.73 -33.62 68.63 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.733 -0.604 . . . . 0.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 p -69.62 -33.15 72.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.087 0.403 . . . . 0.0 111.553 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -76.94 -50.32 13.53 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.4 p -68.96 -29.31 67.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.947 0.499 . . . . 0.0 111.515 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.29 23.07 59.48 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.538 1.066 . . . . 0.0 110.548 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.89 51.61 1.14 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.059 0.929 . . . . 0.0 112.215 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -79.37 62.71 3.79 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.658 1.983 . . . . 0.0 107.843 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -102.38 -1.47 30.8 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -172.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -75.73 84.79 2.73 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.747 1.158 . . . . 0.0 109.635 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -79.74 122.03 26.08 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.242 2.217 . . . . 0.0 110.71 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.91 115.96 4.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -74.33 74.87 1.87 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.3 t -149.42 112.67 4.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.08 131.9 23.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.671 0.789 . . . . 0.0 110.916 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.59 -56.31 4.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.8 t -77.76 44.81 0.47 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.841 1.256 . . . . 0.0 109.984 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -83.79 53.01 2.41 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 120.901 -1.124 . . . . 0.0 109.66 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.89 133.08 47.75 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -97.81 123.66 41.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 125.05 1.34 . . . . 0.0 108.879 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -112.98 158.46 20.23 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.836 0.855 . . . . 0.0 111.527 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -69.17 -42.92 75.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.838 1.255 . . . . 0.0 111.984 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.5 p -127.02 155.84 42.59 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 110.691 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -59.26 -40.93 87.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.47 98.61 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.795 -0.566 . . . . 0.0 110.809 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.07 -46.15 89.01 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.242 0.928 . . . . 0.0 109.224 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 52.7 ttp -55.03 -49.04 72.54 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.896 0.479 . . . . 0.0 109.921 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.04 -48.48 81.55 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.592 0.757 . . . . 0.0 110.414 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.42 -51.62 64.32 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 119.359 0.981 . . . . 0.0 109.386 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -54.94 -54.97 35.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.698 0.285 . . . . 0.0 110.308 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -52.77 -44.68 66.7 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.711 0.767 . . . . 0.0 109.557 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.41 -61.8 2.33 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -47.23 -48.93 24.16 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.102 1.361 . . . . 0.0 112.38 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -92.13 -23.74 19.33 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -173.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.73 -28.0 3.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.864 1.211 . . . . 0.0 113.695 -173.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 N--CA 1.464 0.253 0 CA-C-N 119.51 1.05 . . . . 0.0 108.631 177.6 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 102.903 -2.999 . . . . 0.0 102.903 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.98 145.11 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.997 0.919 . . . . 0.0 108.724 -176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.56 114.41 6.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.362 1.065 . . . . 0.0 109.169 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -42.67 -38.79 2.16 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.722 2.009 . . . . 0.0 113.234 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.97 66.38 1.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.334 1.054 . . . . 0.0 108.982 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.13 -61.35 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 128.697 2.799 . . . . 0.0 115.071 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.95 -38.78 3.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.657 1.583 . . . . 0.0 112.951 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.8 t -56.7 -34.95 67.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.937 1.295 . . . . 0.0 112.066 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.09 60.32 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.361 0.981 . . . . 0.0 114.187 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.43 147.8 23.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.106 0.953 . . . . 0.0 108.918 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.89 151.03 17.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -151.31 155.76 39.39 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.606 0.639 . . . . 0.0 109.742 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -63.54 -62.91 1.36 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.482 0.658 . . . . 0.0 111.963 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -78.59 124.66 28.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.809 -173.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -46.99 -47.55 21.95 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.431 1.092 . . . . 0.0 111.774 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 17.5 p-90 -50.62 -42.53 56.27 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.259 0.624 . . . . 0.0 111.074 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -69.5 -45.18 69.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.92 -34.53 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.49 -48.76 71.48 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.042 -1.036 . . . . 0.0 108.95 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.97 -37.13 63.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.433 0.693 . . . . 0.0 109.914 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -69.26 -59.28 3.12 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 121.648 -0.657 . . . . 0.0 109.536 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 mt -47.4 -34.79 7.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.444 1.098 . . . . 0.0 112.647 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -46.25 -38.2 8.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.255 0.622 . . . . 0.0 111.729 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.58 -42.15 70.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.979 0.912 . . . . 0.0 111.745 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -91.37 -47.12 7.64 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.708 0.803 . . . . 0.0 111.819 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.5 p -85.16 -29.3 24.87 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 11.21 84.23 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -172.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -76.97 129.25 35.89 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.075 1.438 . . . . 0.0 109.515 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -131.84 79.41 67.95 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.62 -32.64 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 124.724 3.616 . . . . 0.0 117.185 -176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -114.77 77.01 4.44 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 118.89 0.768 . . . . 0.0 112.189 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.48 160.56 22.47 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.064 2.509 . . . . 0.0 108.337 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.2 t -82.15 -9.42 59.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.32 1.448 . . . . 0.0 113.209 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.32 -48.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.722 1.609 . . . . 0.0 114.571 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -43.07 140.36 1.48 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.885 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -55.9 127.85 32.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.56 -61.54 3.58 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.1 t -78.3 55.97 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.124 0.97 . . . . 0.0 109.76 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -81.63 -29.25 33.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.968 0.907 . . . . 0.0 110.108 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 42.1 -143.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.923 2.089 . . . . 0.0 112.833 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.6 94.31 0.1 OUTLIER Glycine 0 CA--C 1.521 0.417 0 N-CA-C 106.864 -2.494 . . . . 0.0 106.864 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.59 -1.22 30.75 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p 62.66 -25.7 0.06 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.02 2.23 . . . . 0.0 117.02 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -138.1 158.58 44.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.614 1.552 . . . . 0.0 109.245 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.7 -43.23 89.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -64.22 -42.81 96.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.103 -0.373 . . . . 0.0 110.817 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -56.66 -47.87 78.84 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.988 0.899 . . . . 0.0 108.641 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.01 -37.2 81.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.896 -0.503 . . . . 0.0 111.222 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.3 m -62.07 -50.33 72.41 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.3 -0.875 . . . . 0.0 109.408 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -61.23 -41.36 96.74 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.264 -0.974 . . . . 0.0 110.05 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -53.43 -46.36 69.79 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.796 0.725 . . . . 0.0 110.182 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -54.17 -24.11 16.9 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.4 mt -54.88 -32.33 60.76 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.131 0.878 . . . . 0.0 110.402 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -64.94 -31.73 73.1 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 117.822 0.283 . . . . 0.0 111.05 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -80.72 -48.82 12.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.842 0.857 . . . . 0.0 109.669 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -71.37 -23.81 61.97 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.41 68.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -79.86 55.35 2.06 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.875 0.845 . . . . 0.0 112.178 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -78.61 90.91 4.56 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.317 2.247 . . . . 0.0 106.507 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -131.79 -0.96 3.82 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -76.07 82.86 2.92 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 121.065 1.757 . . . . 0.0 109.42 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -76.72 108.98 10.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.527 1.931 . . . . 0.0 110.462 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.7 t -61.94 142.44 57.43 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -93.06 -96.92 0.14 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t 52.33 -147.03 0.47 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.995 0.918 . . . . 0.0 110.008 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.72 61.36 1.38 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.329 1.052 . . . . 0.0 109.918 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.27 35.55 85.1 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.805 0.716 . . . . 0.0 111.651 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -83.59 62.5 6.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.82 58.67 0.33 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.183 0.993 . . . . 0.0 113.326 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.96 117.35 26.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -87.74 100.27 12.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.366 1.466 . . . . 0.0 108.886 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -87.19 157.05 19.43 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.388 0.613 . . . . 0.0 111.055 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.8 p -71.7 -38.98 70.48 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.513 1.125 . . . . 0.0 111.517 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.6 p -132.96 155.51 48.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.181 0.515 . . . . 0.0 110.383 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -59.51 -39.85 85.18 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.47 99.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.857 -0.527 . . . . 0.0 110.952 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.96 -46.29 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.849 0.749 . . . . 0.0 109.349 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.5 ttp -54.97 -46.78 75.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.952 0.501 . . . . 0.0 110.423 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -62.68 -48.76 77.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.61 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -55.74 -47.84 76.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.636 1.107 . . . . 0.0 109.262 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -53.23 -53.32 52.41 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -55.41 -47.99 75.08 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.099 -0.375 . . . . 0.0 110.96 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -54.82 -45.25 74.4 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.765 1.626 . . . . 0.0 110.162 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -73.09 -38.37 66.42 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.879 0.872 . . . . 0.0 112.243 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -97.73 -74.49 0.57 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -75.65 -29.42 59.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.385 0.674 . . . . 0.0 112.575 -169.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--N 1.33 -0.276 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.122 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 101.0 -3.704 . . . . 0.0 101.0 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.05 142.62 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.448 0.699 . . . . 0.0 110.503 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.39 118.73 8.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.678 1.191 . . . . 0.0 110.102 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -46.92 -37.79 9.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.172 1.789 . . . . 0.0 113.103 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.18 64.84 1.47 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.499 1.12 . . . . 0.0 109.559 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -12.3 -67.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.316 3.047 . . . . 0.0 115.479 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.52 -37.95 2.68 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.842 1.657 . . . . 0.0 113.138 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -34.87 67.25 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.972 1.309 . . . . 0.0 111.948 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.03 30.6 54.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.868 1.223 . . . . 0.0 114.531 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.81 145.19 24.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.021 0.911 . . . . 0.0 108.714 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.15 147.07 24.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -149.1 147.21 28.22 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 118.273 0.488 . . . . 0.0 110.559 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -66.89 -46.39 75.06 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 125.573 1.549 . . . . 0.0 111.474 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -77.86 108.78 11.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -47.54 -44.7 26.15 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.862 1.265 . . . . 0.0 111.859 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -60.28 -34.68 74.09 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.179 0.992 . . . . 0.0 111.589 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -71.39 -41.49 69.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.4 -40.97 98.66 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 173.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.846 -1.159 . . . . 0.0 110.284 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -44.71 75.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -57.79 -53.64 55.88 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.557 -0.714 . . . . 0.0 110.109 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.5 -40.9 39.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 121.534 -0.729 . . . . 0.0 111.969 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 p -51.66 -31.6 26.26 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.622 0.646 . . . . 0.0 111.868 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -54.27 -43.34 70.93 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.584 0.629 . . . . 0.0 111.155 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -91.04 -51.36 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.993 0.917 . . . . 0.0 111.61 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 p -76.98 -31.2 56.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.023 1.329 . . . . 0.0 113.864 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.0 8.86 74.9 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -171.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.97 149.37 32.29 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 118.736 1.268 . . . . 0.0 111.024 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -134.09 77.92 60.41 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.542 1.137 . . . . 0.0 108.343 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.5 -26.18 5.98 Favored 'Trans proline' 0 C--N 1.346 0.403 1 C-N-CA 125.963 4.442 . . . . 0.0 119.171 -174.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -108.68 85.9 3.3 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 119.318 0.963 . . . . 0.0 111.236 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -74.01 145.66 35.91 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.005 1.804 . . . . 0.0 110.404 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.18 -24.23 43.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.92 0.888 . . . . 0.0 111.381 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt 65.43 -33.61 0.17 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -44.78 136.42 4.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.559 1.072 . . . . 0.0 112.093 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.27 126.03 13.89 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.053 0.941 . . . . 0.0 109.789 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.82 -58.6 3.86 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.4 t -77.26 45.05 0.44 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.346 1.458 . . . . 0.0 110.517 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -84.6 63.24 7.8 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.879 -1.138 . . . . 0.0 108.142 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.25 164.97 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.363 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.9 111.11 1.66 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -107.68 148.07 29.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.81 0.805 . . . . 0.0 110.402 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -88.1 -13.92 40.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.607 1.163 . . . . 0.0 112.649 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.468 ' HG ' ' CG ' ' A' ' 59' ' ' HIS . 74.0 p -149.15 152.57 36.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.989 0.813 . . . . 0.0 110.593 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.8 tp -58.43 -37.38 75.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -46.34 88.91 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.017 -0.427 . . . . 0.0 110.35 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.468 ' CG ' ' HG ' ' A' ' 56' ' ' SER . 63.1 m170 -57.41 -47.57 81.37 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.14 -39.41 78.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.921 0.391 . . . . 0.0 110.647 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.3 m -60.06 -52.0 67.24 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.554 -0.716 . . . . 0.0 109.307 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 ptt-85 -64.19 -37.54 87.82 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.337 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -55.23 -43.28 74.4 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.376 -0.827 . . . . 0.0 109.427 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -56.8 -18.11 11.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.0 -35.86 71.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.662 1.119 . . . . 0.0 109.051 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 p -65.9 -33.57 76.14 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.339 0.256 . . . . 0.0 111.245 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -78.07 -49.71 13.44 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.903 0.881 . . . . 0.0 109.533 -177.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -69.52 -27.22 64.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.92 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.89 20.99 62.18 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.563 1.078 . . . . 0.0 110.513 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.25 47.67 0.93 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.285 1.04 . . . . 0.0 112.5 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -81.74 66.53 7.35 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -106.62 2.23 25.82 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -170.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -75.49 85.66 2.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 119.101 0.864 . . . . 0.0 109.377 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -78.76 120.84 23.99 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 127.003 2.121 . . . . 0.0 110.137 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.69 114.35 3.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -75.02 74.02 2.21 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 t -145.07 116.3 7.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.61 128.4 15.04 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.095 0.958 . . . . 0.0 111.006 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.02 -53.44 4.37 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.57 51.12 0.87 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.575 1.15 . . . . 0.0 110.067 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.66 53.22 2.3 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.003 -1.061 . . . . 0.0 109.511 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.84 128.36 36.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.5 0.72 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -94.42 129.68 41.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.299 1.04 . . . . 0.0 109.379 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -115.65 164.27 14.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.636 0.774 . . . . 0.0 111.585 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 p -69.12 -58.99 3.34 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.943 1.697 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.0 p -115.85 145.57 42.75 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.993 0.917 . . . . 0.0 110.057 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -44.93 -52.79 8.34 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.095 0.958 . . . . 0.0 110.819 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.83 -28.84 64.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.81 -44.21 77.81 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -61.66 -41.08 97.05 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.572 0.749 . . . . 0.0 109.669 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.63 -55.99 27.57 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.84 0.746 . . . . 0.0 109.143 176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -50.75 -52.31 41.88 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.457 0.703 . . . . 0.0 109.635 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -55.07 -55.04 35.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.678 0.217 . . . . 0.0 111.242 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -54.12 -44.97 71.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.575 0.703 . . . . 0.0 110.192 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.99 -63.71 1.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -48.78 -45.74 40.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.819 2.448 . . . . 0.0 113.504 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.24 -23.97 15.91 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.157 1.539 . . . . 0.0 115.157 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.19 -48.41 1.2 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.979 1.263 . . . . 0.0 113.781 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 CA-C-N 119.031 0.832 . . . . 0.0 112.04 -173.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 mt -105.75 132.46 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 111.071 -176.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.0 t -57.38 130.94 48.51 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 110.735 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 p -69.72 -68.67 0.4 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.824 1.65 . . . . 0.0 112.674 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -19.23 102.6 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 128.168 2.587 . . . . 0.0 114.802 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.33 36.64 2.39 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.036 1.334 . . . . 0.0 113.279 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 58.93 38.9 24.26 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.578 1.151 . . . . 0.0 111.572 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -42.56 -40.28 2.61 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.292 1.437 . . . . 0.0 112.055 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.45 10.71 86.08 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 113.901 0.32 . . . . 0.0 113.901 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.6 103.79 6.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.6 136.77 44.57 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.11 0.964 . . . . 0.0 111.552 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.06 152.58 46.3 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.329 0.652 . . . . 0.0 110.988 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -78.56 -46.91 18.34 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.273 1.029 . . . . 0.0 111.575 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -88.35 136.91 32.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 121.937 -0.477 . . . . 0.0 110.328 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.86 -46.54 84.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.583 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.1 p-90 -55.17 -38.8 68.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.658 0.783 . . . . 0.0 111.384 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -64.76 -47.64 77.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.78 -40.36 92.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.117 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -58.21 -47.25 84.05 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 119.59 1.086 . . . . 0.0 109.927 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.66 77.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -60.01 -55.74 30.3 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.811 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.09 -33.01 50.26 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.864 0.866 . . . . 0.0 111.68 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 p -55.44 -30.03 59.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.058 0.845 . . . . 0.0 111.25 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -36.71 78.14 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.87 0.468 . . . . 0.0 110.882 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -90.63 -50.33 5.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.365 0.666 . . . . 0.0 111.076 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -79.39 -33.83 42.4 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.51 88.08 Favored Glycine 0 CA--C 1.537 1.437 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -171.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.86 139.7 37.05 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.957 1.378 . . . . 0.0 110.658 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -129.7 82.68 66.47 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 124.483 1.113 . . . . 0.0 108.079 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.22 -22.45 11.29 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.699 4.266 . . . . 0.0 118.484 -174.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.53 79.26 0.98 Allowed Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 119.247 0.931 . . . . 0.0 110.362 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.95 155.68 52.85 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.562 1.508 . . . . 0.0 108.954 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -81.85 147.98 29.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.24 142.69 34.38 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.725 0.693 . . . . 0.0 110.364 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.03 134.76 56.64 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -59.17 3.88 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.93 61.76 2.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.557 1.143 . . . . 0.0 108.836 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -83.08 -27.46 30.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.009 1.324 . . . . 0.0 109.908 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 43.82 -134.01 0.59 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.887 1.675 . . . . 0.0 111.701 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.46 99.69 0.14 Allowed Glycine 0 CA--C 1.521 0.437 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -111.76 155.57 23.3 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.728 0.764 . . . . 0.0 109.589 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -103.42 -2.89 26.22 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.841 0.856 . . . . 0.0 113.303 -176.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -155.49 155.35 33.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.104 0.865 . . . . 0.0 111.158 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.0 -42.07 93.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.064 176.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -57.98 -50.4 73.53 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -43.84 97.27 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.68 -45.02 93.34 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.968 0.507 . . . . 0.0 109.89 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 50.7 m -60.13 -48.8 80.2 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -57.33 -47.6 81.12 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -55.79 -45.69 78.14 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.143 -0.973 . . . . 0.0 110.03 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -57.67 -17.51 15.32 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.36 -35.35 67.56 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.348 0.976 . . . . 0.0 109.233 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.0 p -64.55 -35.55 81.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.851 0.46 . . . . 0.0 111.376 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.39 -50.09 12.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.923 0.889 . . . . 0.0 109.63 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -65.6 -25.79 67.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.379 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.91 33.19 57.91 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -79.38 47.95 0.86 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.906 0.86 . . . . 0.0 111.804 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -82.46 67.86 8.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.17 7.26 6.52 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -77.14 84.22 3.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 m -77.24 116.12 17.59 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.423 1.889 . . . . 0.0 110.335 -174.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.77 116.3 3.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 174.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.59 71.12 1.86 Allowed 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.892 0.477 . . . . 0.0 110.467 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -149.01 116.67 6.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.77 138.67 18.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 110.26 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.27 -59.82 4.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.41 47.77 0.72 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.892 0.877 . . . . 0.0 110.177 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -82.63 54.37 2.63 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -73.0 124.84 26.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.782 0.833 . . . . 0.0 109.447 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -93.82 110.09 21.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.546 1.138 . . . . 0.0 109.988 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.22 161.17 14.37 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.105 0.562 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 p -69.87 -55.37 9.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 125.308 1.443 . . . . 0.0 111.207 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 p -112.04 154.93 24.63 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.353 0.661 . . . . 0.0 109.61 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -56.27 -44.23 79.55 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.04 83.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.894 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.33 -44.4 95.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.678 1.126 . . . . 0.0 109.212 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.03 -46.84 84.65 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.015 0.526 . . . . 0.0 109.945 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.15 -50.11 75.31 Favored 'General case' 0 CA--C 1.528 0.114 0 O-C-N 121.625 -0.672 . . . . 0.0 110.161 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -55.8 -45.19 78.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.944 0.793 . . . . 0.0 109.569 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -56.54 -52.09 66.08 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -55.55 -46.43 77.11 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.968 -0.457 . . . . 0.0 110.907 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.05 -46.4 78.93 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.671 1.588 . . . . 0.0 110.267 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.34 -38.98 71.62 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -100.31 -70.57 0.73 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -75.06 -33.19 61.68 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -170.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.969 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -109.79 142.69 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.571 0.748 . . . . 0.0 109.927 -176.133 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.18 118.11 8.12 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.379 1.072 . . . . 0.0 109.797 178.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.19 -40.51 3.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.724 2.009 . . . . 0.0 112.769 -179.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -75.29 65.37 1.61 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.708 1.203 . . . . 0.0 109.01 178.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.26 -60.52 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 128.964 2.906 . . . . 0.0 115.13 -176.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.63 -38.17 2.91 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.773 1.629 . . . . 0.0 112.914 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -55.7 -35.47 66.11 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.51 23.44 62.68 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.016 0.817 . . . . 0.0 113.904 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.25 140.92 29.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.151 0.976 . . . . 0.0 109.008 178.269 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.5 144.65 20.83 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -151.61 145.45 25.11 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.395 0.543 . . . . 0.0 109.795 179.06 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.05 -56.28 8.21 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 122.693 1.235 . . . . 0.0 112.224 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.12 79.43 1.75 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.206 -174.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -11.91 -60.35 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 129.929 3.292 . . . . 0.0 115.283 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 33.5 p-90 -44.14 -39.39 4.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.923 1.289 . . . . 0.0 112.563 -179.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.08 -40.06 94.09 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.75 1.22 . . . . 0.0 110.198 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.13 -41.68 63.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.876 0.87 . . . . 0.0 108.837 177.493 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -54.66 -50.21 68.75 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.51 64.91 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.877 -0.582 . . . . 0.0 109.63 177.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -46.25 -49.87 16.71 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.834 0.743 . . . . 0.0 111.257 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -53.15 -26.37 16.75 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -54.79 -33.31 61.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.301 0.955 . . . . 0.0 110.909 177.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -52.69 -45.59 66.91 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.662 0.785 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.34 -46.84 7.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.704 0.802 . . . . 0.0 112.041 -175.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.4 p -83.56 -27.88 28.97 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -173.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.9 10.2 83.7 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -172.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.94 158.88 29.17 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.658 1.229 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -133.02 76.45 70.09 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -44.81 -27.55 2.48 Favored 'Trans proline' 0 CA--C 1.532 0.414 1 C-N-CA 126.449 4.766 . . . . 0.0 118.922 -174.303 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.76 86.71 5.99 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.541 1.064 . . . . 0.0 111.432 -175.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -70.71 146.06 53.33 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.494 2.129 . . . . 0.0 110.82 178.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.37 -18.39 42.22 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.049 0.94 . . . . 0.0 112.102 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt 67.82 -44.84 0.49 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.703 2.001 . . . . 0.0 115.755 176.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -40.49 134.41 1.74 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.813 1.245 . . . . 0.0 113.222 -176.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -56.26 133.44 52.57 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.31 -62.38 3.42 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.06 46.25 0.58 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.841 1.256 . . . . 0.0 110.156 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -84.29 59.76 5.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -67.25 167.43 12.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.67 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.71 113.71 1.74 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 106.124 -2.79 . . . . 0.0 106.124 175.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.04 144.86 30.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.686 0.794 . . . . 0.0 109.729 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -81.9 -20.78 38.08 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.689 0.795 . . . . 0.0 112.448 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.404 ' HG ' ' CD2' ' A' ' 59' ' ' HIS . 3.1 p -141.65 155.48 45.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.917 0.78 . . . . 0.0 110.864 178.301 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.47 -41.99 91.03 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.592 175.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.56 89.47 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 122.005 -0.434 . . . . 0.0 110.746 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.404 ' CD2' ' HG ' ' A' ' 56' ' ' SER . 43.2 m170 -58.99 -48.27 82.19 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.19 -42.93 87.2 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.215 0.531 . . . . 0.0 110.187 177.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.0 m -57.07 -53.33 59.28 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -65.32 -36.82 85.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.386 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.8 -42.07 71.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.045 0.839 . . . . 0.0 109.559 176.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m -54.94 -19.91 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.6 -35.87 73.11 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.024 -1.047 . . . . 0.0 109.622 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.1 p -65.2 -32.56 74.3 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.813 0.279 . . . . 0.0 110.937 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -79.58 -52.24 8.26 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 124.004 0.922 . . . . 0.0 110.023 -178.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -66.65 -30.43 70.69 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.42 20.77 63.58 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.36 0.981 . . . . 0.0 111.431 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -78.78 52.74 1.26 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.23 1.015 . . . . 0.0 111.717 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -79.61 63.69 4.27 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.044 2.137 . . . . 0.0 105.947 177.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -98.6 -9.36 24.91 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -74.13 93.85 2.35 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -175.225 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -90.46 127.42 36.21 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.41 1.884 . . . . 0.0 110.898 -175.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.09 114.27 3.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.343 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.15 74.07 1.76 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 t -148.32 113.22 5.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.3 132.63 24.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.695 0.798 . . . . 0.0 110.796 -177.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.66 -57.03 4.93 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 -177.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.87 44.94 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.543 1.137 . . . . 0.0 110.1 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.43 53.11 2.4 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 120.936 -1.103 . . . . 0.0 109.578 -179.437 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 138.85 52.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -100.52 143.75 30.33 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.88 0.872 . . . . 0.0 108.896 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -131.77 158.84 40.17 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.147 0.579 . . . . 0.0 111.296 -178.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -57.39 9.15 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.687 1.595 . . . . 0.0 112.694 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.0 p -118.65 157.53 27.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.198 0.908 . . . . 0.0 109.108 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -52.3 -43.05 64.27 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.49 -27.31 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.578 -0.701 . . . . 0.0 112.614 -178.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -64.53 -48.3 75.6 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 ttp -56.48 -48.32 77.36 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.581 0.752 . . . . 0.0 109.291 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -57.91 -52.13 66.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.984 0.514 . . . . 0.0 110.065 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -51.84 -54.64 26.65 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 118.844 0.747 . . . . 0.0 109.656 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -54.8 -54.39 42.85 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.889 0.313 . . . . 0.0 110.583 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -53.96 -45.18 71.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.504 0.668 . . . . 0.0 109.673 -177.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -60.02 -62.43 1.87 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.39 0.614 . . . . 0.0 109.467 178.021 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.64 -45.07 18.93 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.1 2.16 . . . . 0.0 112.426 -179.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -96.15 -25.97 15.65 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -123.6 -24.12 4.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.832 1.196 . . . . 0.0 113.859 -172.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.0 t30 . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.068 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mt -94.17 145.58 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.245 1.418 . . . . 0.0 111.485 -174.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -56.16 128.52 35.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.441 1.897 . . . . 0.0 110.312 176.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.91 -44.28 4.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.536 1.934 . . . . 0.0 112.248 -179.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -76.57 64.46 2.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.299 1.04 . . . . 0.0 108.9 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.07 -61.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 128.987 2.915 . . . . 0.0 115.295 -176.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -42.44 -38.11 1.8 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.0 1.72 . . . . 0.0 113.006 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -52.34 -37.03 55.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.26 1.424 . . . . 0.0 112.197 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.0 13.15 56.93 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 123.808 0.718 . . . . 0.0 114.62 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.43 136.71 36.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.79 140.21 24.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.735 -1.126 . . . . 0.0 108.686 -178.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -144.01 -16.99 0.59 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 -173.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.32 -49.47 0.67 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.829 1.649 . . . . 0.0 113.462 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -75.03 110.4 9.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.79 -52.96 10.35 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.357 0.663 . . . . 0.0 111.848 -177.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -53.31 -42.08 66.3 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.354 0.525 . . . . 0.0 111.4 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -46.77 70.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.047 0.939 . . . . 0.0 109.569 -176.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -46.43 80.8 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 109.847 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.59 -45.68 84.97 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.736 0.814 . . . . 0.0 109.377 176.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -53.52 56.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -48.84 -53.08 20.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.711 0.687 . . . . 0.0 110.271 175.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -55.06 -21.25 11.85 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.205 -0.902 . . . . 0.0 113.138 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -55.04 -35.67 64.72 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.184 1.357 . . . . 0.0 110.949 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -62.22 -37.11 84.13 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.471 0.578 . . . . 0.0 112.24 178.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -84.96 -46.66 11.02 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.846 0.355 . . . . 0.0 111.455 -178.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.0 p -87.82 -28.9 21.35 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -172.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 8.42 87.84 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -172.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -78.1 148.67 34.1 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.777 1.289 . . . . 0.0 111.32 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -134.37 76.77 61.56 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -48.22 -25.75 7.31 Favored 'Trans proline' 0 N--CA 1.459 -0.502 1 C-N-CA 125.328 4.019 . . . . 0.0 118.762 -173.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -114.46 81.18 6.59 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 119.47 1.032 . . . . 0.0 111.722 -174.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.07 148.59 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.147 1.898 . . . . 0.0 110.941 178.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 -25.51 37.92 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.205 0.602 . . . . 0.0 110.692 178.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.08 -39.71 0.4 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.61 1.964 . . . . 0.0 115.532 176.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -42.06 136.64 2.09 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.972 1.309 . . . . 0.0 112.632 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -52.42 132.66 34.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.062 0.945 . . . . 0.0 109.281 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.2 -62.93 3.33 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -78.41 49.09 0.82 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.905 0.882 . . . . 0.0 110.897 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -82.65 60.7 5.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -69.01 163.91 23.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.589 0.756 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 104.32 0.72 Allowed Glycine 0 C--N 1.335 0.513 0 N-CA-C 107.354 -2.299 . . . . 0.0 107.354 175.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.94 149.23 23.17 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 118.524 1.162 . . . . 0.0 109.628 178.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -89.22 -7.71 54.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.091 0.956 . . . . 0.0 112.867 -178.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.425 ' HG ' ' CG ' ' A' ' 59' ' ' HIS . 86.2 p -152.19 150.84 30.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.268 0.94 . . . . 0.0 110.846 176.738 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.83 -39.13 76.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -47.29 84.62 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.162 -0.336 . . . . 0.0 110.233 179.654 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.425 ' CG ' ' HG ' ' A' ' 56' ' ' SER . 1.7 m-70 -58.05 -46.61 85.1 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.458 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.75 -42.2 75.07 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.823 0.344 . . . . 0.0 110.16 177.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 m -58.4 -53.19 61.07 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.98 0.512 . . . . 0.0 109.897 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.587 -1.245 . . . . 0.0 110.923 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.32 -42.28 73.55 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.499 -0.751 . . . . 0.0 109.971 176.346 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 m -55.34 -19.5 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.17 -35.22 69.29 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.923 0.783 . . . . 0.0 109.44 174.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -67.07 -35.19 79.29 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.896 0.478 . . . . 0.0 111.693 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -76.77 -47.59 21.23 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 p -66.93 -26.28 66.77 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.761 178.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.05 25.81 56.9 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 -177.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.03 49.2 1.2 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.867 0.867 . . . . 0.0 111.552 -178.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -81.46 69.69 8.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -118.69 6.17 11.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -169.759 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -77.03 82.03 3.55 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 119.661 1.118 . . . . 0.0 108.557 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -77.66 117.01 18.66 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 126.278 1.831 . . . . 0.0 110.652 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.39 114.09 2.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.74 70.73 1.9 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.946 0.498 . . . . 0.0 110.375 -177.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 t -146.62 117.33 7.59 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.298 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.84 138.49 18.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.257 0.623 . . . . 0.0 110.201 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.07 -59.95 4.49 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -177.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.43 49.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.578 0.751 . . . . 0.0 110.263 177.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.57 53.6 2.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.101 -0.999 . . . . 0.0 109.051 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.0 mt -71.16 125.71 27.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.624 0.77 . . . . 0.0 109.321 -178.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -92.83 114.41 26.96 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.806 1.243 . . . . 0.0 109.487 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -100.81 162.45 12.9 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.613 0.765 . . . . 0.0 110.887 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 p -76.0 -30.51 58.55 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.236 1.415 . . . . 0.0 112.668 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 p -141.26 156.37 45.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.135 0.879 . . . . 0.0 109.578 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.16 -43.35 87.39 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.87 88.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.654 -0.653 . . . . 0.0 111.414 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.7 -46.16 89.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.199 0.909 . . . . 0.0 109.699 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 ttp -56.12 -46.08 79.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.909 0.484 . . . . 0.0 110.379 176.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.54 -46.39 86.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.316 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -55.87 -48.51 75.42 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 119.767 1.167 . . . . 0.0 108.991 176.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -53.92 -53.05 58.04 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.45 -49.04 68.24 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.07 -0.394 . . . . 0.0 110.904 -179.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -55.94 -45.06 78.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.775 1.63 . . . . 0.0 110.532 177.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.9 -27.62 61.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.559 1.143 . . . . 0.0 112.824 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -114.14 -68.61 0.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -173.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -76.72 -27.9 55.63 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.656 -0.652 . . . . 0.0 112.531 -170.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.482 0 O4'-C1'-N19 110.651 3.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.14 1 O4'-C1'-N19 111.396 4.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.905 5.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 P-O3'-C3' 123.853 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 113.205 6.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C1'-N19 109.562 2.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 0 N19-C1'-C2' 109.968 -2.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 2 O4'-C1'-N19 112.655 6.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.665 0 P-O3'-C3' 122.752 2.543 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.491 1 O4'-C1'-N19 112.12 5.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.706 0 P-O3'-C3' 123.077 2.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.879 0 O4'-C1'-C2' 102.574 -3.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 0 C1'-O4'-C4' 105.605 -2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-N19 110.729 3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.917 1 O4'-C1'-N19 112.222 5.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.051 0 O4'-C1'-N19 110.972 3.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 P-O3'-C3' 123.105 2.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 O4'-C1'-C2' 102.84 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 1 O4'-C1'-N19 111.95 5.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-C2' 102.938 -2.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.763 1 O4'-C1'-N19 113.545 7.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.78 1 O4'-C1'-N19 113.195 6.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 0 O4'-C4'-C3' 108.37 2.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.559 0 O4'-C4'-C3' 108.19 2.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 1 O4'-C1'-N19 111.921 5.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.63 0 O4'-C1'-N19 110.155 2.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.889 1 O4'-C1'-N19 111.493 4.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 O4'-C4'-C3' 108.312 2.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.312 0 P-O3'-C3' 122.622 2.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.0 mtp . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.358 0.123 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -71.22 86.83 0.79 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.3 1.04 . . . . 0.0 110.467 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -63.02 128.71 37.14 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -77.47 126.94 31.7 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mt -90.7 143.61 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.592 0.757 . . . . 0.0 111.683 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -61.57 124.59 21.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.576 1.551 . . . . 0.0 110.332 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -42.77 -43.09 3.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.928 2.091 . . . . 0.0 112.828 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -75.71 63.23 1.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.277 1.031 . . . . 0.0 109.571 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.92 -65.29 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.153 2.981 . . . . 0.0 115.561 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.25 -37.25 2.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.964 1.705 . . . . 0.0 113.104 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.9 t -53.39 -35.89 60.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.316 1.446 . . . . 0.0 111.991 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.2 58.85 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.07 0.843 . . . . 0.0 114.739 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 142.74 31.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.599 1.2 . . . . 0.0 108.464 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.14 139.06 17.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.164 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -151.08 135.86 17.25 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -31.9 66.07 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.114 -0.991 . . . . 0.0 110.722 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -76.75 119.02 19.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -53.76 -48.35 69.81 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.126 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -52.39 -44.64 65.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.948 0.899 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -50.58 73.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.55 -35.9 79.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.861 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.41 -49.53 75.14 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 119.534 1.061 . . . . 0.0 109.102 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.22 74.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.617 0.367 . . . . 0.0 110.76 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -63.55 -60.34 3.47 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.839 -0.538 . . . . 0.0 109.823 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.56 -34.82 38.42 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.503 1.121 . . . . 0.0 112.274 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -52.73 -32.92 45.61 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.865 0.757 . . . . 0.0 111.321 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.42 -35.55 77.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.641 0.376 . . . . 0.0 111.601 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.13 -50.06 6.21 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.189 0.596 . . . . 0.0 110.955 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -82.1 -30.82 31.03 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.035 1.334 . . . . 0.0 114.517 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.48 7.99 87.09 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.38 144.4 35.98 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.927 1.363 . . . . 0.0 110.641 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -134.1 77.39 61.7 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 124.573 1.149 . . . . 0.0 108.57 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -47.86 -26.08 6.8 Favored 'Trans proline' 0 CA--C 1.533 0.459 1 C-N-CA 125.71 4.274 . . . . 0.0 119.23 -174.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -112.36 78.8 2.7 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 119.909 1.232 . . . . 0.0 111.68 -175.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -75.79 150.82 35.36 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.434 2.089 . . . . 0.0 111.978 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.23 -21.38 50.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.225 1.01 . . . . 0.0 111.309 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt 70.29 -47.0 0.62 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.642 1.977 . . . . 0.0 114.086 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -40.01 133.78 1.62 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.489 1.515 . . . . 0.0 113.158 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -55.63 138.16 47.7 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.715 0.806 . . . . 0.0 108.887 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.89 -65.86 2.87 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.94 50.45 1.02 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.63 0.715 . . . . 0.0 110.593 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.07 59.77 4.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -69.43 158.4 35.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.579 0.751 . . . . 0.0 109.4 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 98.74 0.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -88.73 143.47 26.9 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 p -90.4 -2.42 57.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.653 -0.654 . . . . 0.0 111.834 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -154.94 150.3 27.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 122.014 -0.429 . . . . 0.0 110.059 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.12 164.34 26.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . 0.32 1.7 t60 74.48 -40.41 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.772 1.629 . . . . 0.0 112.427 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -59.41 -36.28 75.56 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 169.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.83 -43.7 98.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.364 1.066 . . . . 0.0 109.327 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -63.36 -48.03 79.63 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.116 -0.99 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -61.7 -40.15 93.99 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.373 0.988 . . . . 0.0 108.879 176.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -43.59 77.07 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.673 0.67 . . . . 0.0 109.208 173.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.0 m -54.57 -20.85 8.75 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.44 -34.55 69.08 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.119 0.872 . . . . 0.0 109.514 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.5 p -68.42 -33.87 74.98 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.304 0.641 . . . . 0.0 111.857 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -76.62 -47.55 21.95 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.9 p -69.08 -25.53 64.48 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.311 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.84 27.19 59.09 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -79.79 62.21 3.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.516 0.727 . . . . 0.0 111.949 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -75.91 117.21 17.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -145.97 -18.39 0.45 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -171.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.45 88.88 2.65 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.573 1.079 . . . . 0.0 109.006 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.6 m -77.87 118.91 20.65 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.485 1.914 . . . . 0.0 110.893 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.87 117.25 4.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.59 74.98 2.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t -149.86 113.32 4.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.54 131.78 25.17 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.709 0.804 . . . . 0.0 110.915 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.51 -56.21 4.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.69 44.26 0.44 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.02 1.328 . . . . 0.0 109.907 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.54 52.85 2.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 120.866 -1.146 . . . . 0.0 109.566 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.81 131.68 44.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -97.08 123.65 40.88 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.742 1.217 . . . . 0.0 109.149 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -109.64 161.07 15.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 0.0 111.391 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -71.98 -36.35 69.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.301 1.44 . . . . 0.0 112.718 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.6 p -135.72 158.05 45.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.529 0.604 . . . . 0.0 110.247 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -56.56 -44.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.71 97.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.83 -0.544 . . . . 0.0 111.208 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -61.41 -44.25 97.45 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.305 0.957 . . . . 0.0 109.443 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.23 -48.06 74.47 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -59.27 -51.23 70.84 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.571 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -51.09 -52.35 44.42 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 119.432 1.015 . . . . 0.0 109.413 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -56.05 -54.23 47.51 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.873 0.306 . . . . 0.0 110.18 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.06 -43.42 63.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.558 0.694 . . . . 0.0 110.426 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -65.0 -64.8 0.78 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.629 0.772 . . . . 0.0 109.093 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -45.68 -38.77 7.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.084 2.154 . . . . 0.0 113.235 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -102.74 -19.41 14.75 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -134.08 -64.48 0.69 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 120.237 1.38 . . . . 0.0 109.918 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.72 61.67 3.76 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 121.466 0.651 . . . . 0.0 110.893 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.09 -36.62 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm . . . . . 0 CA--C 1.532 0.251 0 O-C-N 121.852 -0.53 . . . . 0.0 109.601 177.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.609 0 O4'-C1'-N19 110.903 3.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.225 0 P-O3'-C3' 122.936 2.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.758 4.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 P-O3'-C3' 123.679 3.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.578 1 O4'-C1'-N19 111.916 5.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.508 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 0 O4'-C1'-N19 110.491 3.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.628 1 O4'-C1'-N19 111.974 5.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.558 4.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.518 0 P-O3'-C3' 122.946 2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.553 0 O4'-C1'-N19 110.653 3.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.684 0 P-O3'-C3' 122.865 2.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.56 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 P-O3'-C3' 123.594 3.245 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.197 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.855 1 O4'-C1'-N19 111.164 4.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 109.931 2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 0 P-O3'-C3' 124.07 3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 P-O3'-C3' 122.858 2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.952 1 O4'-C1'-N19 111.139 4.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 1 O4'-C1'-N19 114.546 8.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.922 1 O4'-C1'-N19 112.739 6.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 0 O4'-C4'-C3' 108.317 2.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.678 0 O4'-C1'-C2' 103.416 -2.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 1 O4'-C1'-N19 111.725 4.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 0 O4'-C1'-C2' 102.927 -2.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.072 1 O4'-C1'-N19 111.268 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 0 O4'-C4'-C3' 108.231 2.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.196 0 P-O3'-C3' 122.67 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.673 0.273 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -71.38 100.09 2.11 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.317 0.647 . . . . 0.0 110.954 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -69.61 148.62 49.12 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 173.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -79.27 134.4 36.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 172.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.17 142.4 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.923 0.889 . . . . 0.0 109.872 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.83 123.19 17.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.636 1.174 . . . . 0.0 109.227 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 p -52.09 -36.78 51.93 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.608 1.563 . . . . 0.0 112.609 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.95 65.3 1.41 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.98 . . . . 0.0 109.701 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.72 -65.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.305 3.042 . . . . 0.0 115.283 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.64 -38.22 2.96 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.84 1.656 . . . . 0.0 113.012 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 t -56.99 -34.86 68.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.122 1.369 . . . . 0.0 112.068 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.04 29.52 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.558 1.075 . . . . 0.0 114.35 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.89 144.3 25.83 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.134 0.967 . . . . 0.0 109.042 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.58 144.96 20.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -151.12 152.77 33.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -82.48 -40.04 21.65 Favored 'General case' 0 C--O 1.227 -0.094 0 O-C-N 121.902 -0.499 . . . . 0.0 112.038 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -73.89 118.48 16.9 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.67 -54.38 9.7 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.432 1.093 . . . . 0.0 110.592 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 p-90 -52.08 -40.34 61.07 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.895 0.878 . . . . 0.0 110.93 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -69.25 -48.71 61.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.929 -0.482 . . . . 0.0 109.744 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.41 -37.52 81.12 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.099 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -59.65 -47.9 83.8 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.875 1.216 . . . . 0.0 109.545 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.29 66.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.127 0.571 . . . . 0.0 110.345 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -67.71 -56.39 9.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.4 mt -48.0 -36.96 13.67 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 112.056 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 p -50.56 -34.07 24.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.049 0.386 . . . . 0.0 112.038 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -51.96 -43.16 63.39 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.793 0.837 . . . . 0.0 110.888 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -92.35 -49.33 6.21 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.873 0.869 . . . . 0.0 111.801 -177.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -81.76 -28.02 33.48 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.12 10.59 86.17 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -77.43 129.4 35.71 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.91 1.355 . . . . 0.0 109.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -128.22 82.21 68.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -48.34 -25.56 7.37 Favored 'Trans proline' 0 C--N 1.347 0.489 1 C-N-CA 125.525 4.15 . . . . 0.0 118.125 -174.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.59 81.57 3.31 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 119.162 0.892 . . . . 0.0 111.092 -176.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.59 154.04 39.49 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.755 2.303 . . . . 0.0 110.504 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.46 -24.36 34.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.927 0.891 . . . . 0.0 111.178 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? 68.18 -35.36 0.28 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.44 1.896 . . . . 0.0 115.813 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -45.85 137.92 5.24 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.918 0.887 . . . . 0.0 112.216 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -57.09 132.98 54.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -62.83 3.31 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.5 t -78.05 47.67 0.67 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.424 1.09 . . . . 0.0 110.353 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.2 60.88 6.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.4 162.45 22.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.84 110.99 1.38 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 107.609 -2.197 . . . . 0.0 107.609 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -112.46 152.83 28.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.672 0.789 . . . . 0.0 109.544 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -88.35 -17.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -142.55 158.85 43.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.45 -34.84 77.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -45.9 65.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.866 0.867 . . . . 0.0 108.792 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -58.48 -46.43 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.11 -41.3 87.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.438 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.2 m -60.36 -51.62 68.75 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.399 -0.813 . . . . 0.0 110.724 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -56.34 -37.2 69.66 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.029 0.832 . . . . 0.0 110.848 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -64.72 -48.8 73.31 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.985 -0.447 . . . . 0.0 110.238 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -51.52 -30.43 20.37 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.162 0.985 . . . . 0.0 112.259 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -49.64 -32.93 14.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.256 0.48 . . . . 0.0 111.636 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.2 p -64.34 -30.72 71.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.596 0.358 . . . . 0.0 111.503 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.81 -48.53 14.6 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.165 0.986 . . . . 0.0 109.515 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -71.83 -24.97 61.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.051 0.54 . . . . 0.0 110.907 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 35.77 41.01 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.0 51.35 1.13 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.821 0.819 . . . . 0.0 111.537 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -81.03 62.53 5.04 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.953 1.701 . . . . 0.0 107.506 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -118.46 3.66 11.82 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -76.13 87.16 3.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.923 1.238 . . . . 0.0 108.22 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.5 m -77.35 118.14 19.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.489 1.916 . . . . 0.0 111.161 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -60.89 117.42 5.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.53 74.29 1.96 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -149.26 112.77 5.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.03 131.3 22.99 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.82 0.848 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.33 -55.76 4.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.1 t -77.72 44.99 0.48 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.911 1.284 . . . . 0.0 109.926 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -83.84 52.28 2.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 120.813 -1.179 . . . . 0.0 109.593 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.26 134.11 49.88 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -103.28 112.59 25.53 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 124.152 0.981 . . . . 0.0 109.033 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -96.33 161.95 13.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.939 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -50.68 28.1 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 126.238 1.815 . . . . 0.0 111.687 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.1 p -117.91 155.66 29.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.707 0.685 . . . . 0.0 109.765 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.49 -40.8 79.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.13 93.13 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.761 -0.587 . . . . 0.0 111.123 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.28 -44.76 96.69 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.084 0.856 . . . . 0.0 108.701 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.9 ttp -55.71 -50.95 68.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -58.47 -48.48 80.63 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 123.109 0.564 . . . . 0.0 111.016 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -53.88 -52.78 59.39 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 119.103 0.865 . . . . 0.0 109.365 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -55.42 -54.68 40.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.566 0.222 . . . . 0.0 110.425 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -53.53 -43.4 68.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.83 0.824 . . . . 0.0 109.681 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -60.34 -61.93 2.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -48.16 -51.01 26.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.596 1.159 . . . . 0.0 112.558 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.98 -24.71 22.34 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 115.311 1.596 . . . . 0.0 115.311 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -123.87 -34.04 3.06 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.718 1.145 . . . . 0.0 113.274 -173.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -79.33 -66.43 0.87 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.557 1.071 . . . . 0.0 108.389 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.7 pt -90.61 16.53 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.17 0.588 . . . . 0.0 111.801 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 CA--C 1.531 0.214 0 C-N-CA 124.19 0.996 . . . . 0.0 111.837 177.813 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.192 0 P-O3'-C3' 122.727 2.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 0 O4'-C1'-N19 110.618 3.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 P-O3'-C3' 123.001 2.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.563 1 O4'-C1'-N19 111.758 4.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 O4'-C1'-N19 110.251 3.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 0 N19-C1'-C2' 110.223 -2.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 0 O4'-C1'-C2' 102.876 -2.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.455 1 O4'-C1'-N19 113.207 6.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.778 0 P-O3'-C3' 123.981 3.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.583 1 O4'-C1'-N19 112.042 5.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O4'-C1'-N19 109.728 2.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.851 1 O4'-C1'-N19 112.101 5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.279 0 P-O3'-C3' 122.762 2.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 1 O4'-C1'-N19 111.523 4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.678 0 O4'-C1'-N19 110.356 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 P-O3'-C3' 123.267 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 O4'-C1'-C2' 102.989 -2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.776 1 O4'-C1'-N19 112.452 5.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 P-O3'-C3' 123.198 2.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 112.131 5.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.798 1 O4'-C1'-N19 112.789 6.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C4'-C3' 108.285 2.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 P-O3'-C3' 122.906 2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.735 1 O4'-C1'-N19 111.877 5.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-C2' 103.403 -2.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 1 O4'-C1'-N19 111.822 5.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C4'-C3' 108.154 2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-N19 110.21 3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -85.59 94.36 9.03 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -50.04 119.84 3.93 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.066 0.546 . . . . 0.0 110.784 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -76.2 130.07 37.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -91.79 143.81 10.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.566 0.746 . . . . 0.0 111.768 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 t -63.23 122.14 15.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.221 1.808 . . . . 0.0 110.839 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.45 -33.33 13.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 126.64 1.976 . . . . 0.0 113.634 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.37 75.47 0.54 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.681 0.793 . . . . 0.0 110.423 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.21 128.94 4.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.712 1.205 . . . . 0.0 109.799 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 106.07 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 128.806 2.842 . . . . 0.0 109.136 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -58.86 -43.63 90.86 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 109.975 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.32 23.37 66.39 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.011 0.815 . . . . 0.0 114.713 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.57 149.7 26.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.54 144.19 22.58 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -146.01 149.68 34.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.389 0.541 . . . . 0.0 111.294 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -71.27 -47.71 55.31 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.118 0.967 . . . . 0.0 112.924 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.06 136.26 33.11 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.193 -0.317 . . . . 0.0 110.628 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -54.32 -47.6 72.3 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 119.317 -0.373 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.3 p-90 -55.76 -39.35 71.08 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.42 0.688 . . . . 0.0 111.204 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -66.15 -46.3 77.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.8 -41.16 95.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.981 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -58.65 -47.05 85.74 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.277 0.944 . . . . 0.0 109.788 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.41 77.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -61.67 -55.58 28.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.209 174.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -47.53 -38.52 14.24 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.163 0.985 . . . . 0.0 112.549 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 p -50.19 -33.1 18.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.62 0.645 . . . . 0.0 111.444 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -54.5 -43.18 71.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.362 0.665 . . . . 0.0 111.457 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -90.58 -51.1 5.57 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 111.308 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 p -76.7 -31.53 57.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.047 1.339 . . . . 0.0 113.84 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.95 8.63 78.5 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -171.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 147.26 33.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.789 1.294 . . . . 0.0 110.864 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -134.82 76.87 58.69 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -47.39 -24.49 4.09 Favored 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.53 4.153 . . . . 0.0 119.208 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.64 83.82 5.94 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 119.498 1.045 . . . . 0.0 111.859 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.57 152.0 33.19 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.465 2.11 . . . . 0.0 111.346 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.4 t -80.14 -16.93 53.85 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.975 0.91 . . . . 0.0 112.179 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 70.54 -50.17 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.437 1.895 . . . . 0.0 114.14 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -39.86 132.1 1.79 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.769 1.628 . . . . 0.0 113.154 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -56.71 139.51 50.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.8 -65.03 2.94 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.73 48.78 0.84 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.021 0.928 . . . . 0.0 110.108 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -82.89 60.54 5.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.61 160.22 28.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.522 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.07 108.88 1.08 Allowed Glycine 0 C--N 1.334 0.446 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -105.69 150.02 25.85 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.135 0.967 . . . . 0.0 109.635 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -88.61 -9.05 53.53 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.967 0.907 . . . . 0.0 112.664 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -150.05 148.76 29.4 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.702 0.683 . . . . 0.0 110.391 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.2 -37.0 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -49.51 76.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 122.0 -0.437 . . . . 0.0 110.479 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -62.09 -39.5 92.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.134 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.22 -40.37 81.49 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.621 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m -61.99 -49.2 77.0 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.575 -0.703 . . . . 0.0 109.825 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -59.8 -43.87 94.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.946 0.794 . . . . 0.0 109.762 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.17 -43.36 78.31 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.752 -0.592 . . . . 0.0 109.717 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -20.53 11.68 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.3 mt -56.25 -35.04 66.95 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.403 1.001 . . . . 0.0 109.634 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -68.57 -35.23 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -76.9 -47.29 21.55 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.6 p -67.96 -28.98 67.93 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.493 0.317 . . . . 0.0 110.769 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.74 30.24 48.96 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -79.51 45.95 0.71 Allowed 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.736 -0.861 . . . . 0.0 111.973 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -81.25 64.7 6.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.402 1.481 . . . . 0.0 107.982 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -115.94 7.37 14.4 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -76.13 85.05 2.98 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 119.647 1.112 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 m -77.82 122.3 25.24 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.054 2.142 . . . . 0.0 111.835 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 t -59.98 119.98 8.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 173.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.56 73.15 1.95 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 122.561 0.344 . . . . 0.0 110.177 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -152.5 116.62 4.91 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.39 138.75 26.36 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.02 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.98 -59.64 4.49 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.07 46.02 0.57 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.505 1.122 . . . . 0.0 110.113 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.12 52.1 2.11 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.928 -1.107 . . . . 0.0 109.456 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.5 128.85 37.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -100.68 119.47 38.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 108.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.07 161.92 13.26 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.948 0.899 . . . . 0.0 111.025 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 p -67.95 -50.92 53.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.032 1.333 . . . . 0.0 111.064 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 p -118.08 155.12 30.92 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.701 0.762 . . . . 0.0 110.527 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -57.98 -42.57 85.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.242 175.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.23 92.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.552 -0.718 . . . . 0.0 111.201 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.13 -46.34 88.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.313 0.96 . . . . 0.0 108.933 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.7 ttp -56.21 -48.37 76.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.87 0.468 . . . . 0.0 110.249 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -58.41 -52.31 66.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.244 0.617 . . . . 0.0 110.172 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -54.74 -45.46 74.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.752 0.705 . . . . 0.0 110.119 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -58.87 -53.63 56.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.994 -0.441 . . . . 0.0 110.001 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.71 -42.83 71.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.027 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -58.56 -64.86 0.78 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -47.99 -52.74 18.63 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.723 1.209 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -88.2 -24.98 23.14 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -124.67 -42.1 2.09 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.504 1.047 . . . . 0.0 112.933 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -40.44 62.31 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.626 1.103 . . . . 0.0 110.038 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.7 pt -119.43 32.48 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 123.839 0.856 . . . . 0.0 109.626 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 124.7 1.2 . . . . 0.0 111.719 179.104 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 O4'-C1'-N19 110.705 3.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.471 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.029 4.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.575 0 P-O3'-C3' 123.576 3.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.503 1 O4'-C1'-N19 112.712 6.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.561 0 O4'-C4'-C3' 108.534 2.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.234 4.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 1 O4'-C1'-N19 112.526 5.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.089 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.737 0 O4'-C1'-C2' 103.038 -2.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.423 1 O4'-C1'-N19 111.184 4.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 P-O3'-C3' 123.343 3.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 P-O3'-C3' 122.802 2.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.526 0 C1'-O4'-C4' 105.462 -3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 0 O4'-C1'-N19 110.292 3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.799 0 O4'-C1'-C2' 103.161 -2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.109 0 P-O3'-C3' 122.76 2.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 0 P-O3'-C3' 123.816 3.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.834 1 O4'-C1'-C2' 101.681 -4.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 1 O4'-C1'-N19 112.443 5.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C1'-N19 110.175 2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . 0.526 ' H42' ' CD2' ' A' ' 58' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.542 1 O4'-C1'-N19 114.437 8.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.826 1 O4'-C1'-N19 114.387 8.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O4'-C1'-N19 109.92 2.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 0 P-O3'-C3' 122.761 2.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.871 1 O4'-C1'-N19 111.775 4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 O4'-C1'-N19 110.734 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.933 0 O4'-C1'-N19 110.74 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.513 0 O4'-C4'-C3' 108.319 2.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.294 0 P-O3'-C3' 122.519 2.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.6 mtp . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 120.629 0.252 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -60.13 129.05 39.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -61.55 133.83 56.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -90.79 127.67 36.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mp -86.81 142.03 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 123.991 0.916 . . . . 0.0 110.015 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -61.74 125.89 25.41 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.209 1.403 . . . . 0.0 111.111 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.95 -43.21 13.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.083 1.753 . . . . 0.0 112.308 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -74.97 67.64 1.71 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.3 -61.01 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.379 2.672 . . . . 0.0 115.133 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.26 -37.08 3.03 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.837 1.655 . . . . 0.0 113.219 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -54.08 -35.0 61.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.58 1.552 . . . . 0.0 111.527 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.77 57.54 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.245 0.926 . . . . 0.0 113.526 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.67 150.99 20.34 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.39 147.78 25.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -143.69 152.95 41.96 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 118.093 0.406 . . . . 0.0 111.938 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -39.33 -56.06 1.62 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 127.189 2.195 . . . . 0.0 115.919 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -125.6 160.48 29.5 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -49.11 -54.0 18.14 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.779 1.632 . . . . 0.0 110.566 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -55.14 -42.38 72.98 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.347 0.659 . . . . 0.0 110.944 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -67.71 -43.48 79.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.4 tp -59.53 -41.11 89.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.949 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.02 -45.89 91.28 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.956 0.798 . . . . 0.0 109.769 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.164 -0.335 . . . . 0.0 110.433 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -63.91 -55.82 19.82 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.743 -0.598 . . . . 0.0 109.566 174.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -52.01 -30.71 26.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.539 1.136 . . . . 0.0 111.914 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 p -54.63 -31.13 56.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.36 0.982 . . . . 0.0 110.885 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -63.24 -33.29 75.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.134 0.573 . . . . 0.0 111.212 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.75 -49.66 6.51 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.657 0.783 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.8 p -88.69 -30.71 18.92 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.843 1.657 . . . . 0.0 115.323 -171.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.81 7.18 88.85 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -172.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.82 133.18 38.25 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.054 1.427 . . . . 0.0 110.639 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -130.44 81.93 66.67 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -52.28 -20.85 12.02 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 125.286 3.99 . . . . 0.0 118.722 -173.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -113.02 76.88 2.44 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 119.777 1.171 . . . . 0.0 111.561 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.33 142.49 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.028 2.486 . . . . 0.0 110.212 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.56 -17.72 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.068 1.347 . . . . 0.0 112.273 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 71.53 -44.95 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.511 1.924 . . . . 0.0 114.292 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -43.14 133.84 3.77 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.526 1.13 . . . . 0.0 112.748 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.36 134.73 56.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.1 -63.29 3.25 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.96 46.19 0.57 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.445 1.098 . . . . 0.0 110.356 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.01 60.03 5.99 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -65.62 137.67 57.5 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.23 91.82 1.11 Allowed Glycine 0 CA--C 1.52 0.348 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -90.47 156.44 18.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.841 0.821 . . . . 0.0 110.016 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -100.8 -7.9 23.19 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -148.86 156.68 42.66 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.287 0.948 . . . . 0.0 109.324 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.11 -43.31 95.7 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.526 ' CD2' ' H42' ' F' ' 22' ' ' ' DC' . 61.4 t60 -61.64 -48.56 80.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.631 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -53.74 -48.04 70.05 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.1 -40.35 89.31 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.188 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -62.49 -52.71 62.41 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.469 -0.769 . . . . 0.0 110.12 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -58.82 -38.45 78.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.177 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -58.99 -49.86 76.3 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.909 -0.494 . . . . 0.0 110.793 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -24.8 27.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -52.14 -31.93 33.39 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.69 0.677 . . . . 0.0 110.888 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -65.54 -29.77 70.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.591 0.356 . . . . 0.0 111.523 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.65 -48.24 15.44 Favored 'General case' 0 CA--C 1.522 -0.129 0 C-N-CA 124.055 0.942 . . . . 0.0 109.277 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -71.74 -25.06 61.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.53 32.54 46.39 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.22 58.03 2.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.9 0.857 . . . . 0.0 111.267 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.51 77.26 5.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -121.29 -3.71 9.46 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -169.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -76.8 87.48 3.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 119.448 1.022 . . . . 0.0 108.394 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.59 117.69 19.26 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.824 2.05 . . . . 0.0 111.265 -173.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.07 116.54 4.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.72 74.56 2.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -148.89 113.52 5.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.76 132.37 26.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.63 0.772 . . . . 0.0 110.76 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.48 -56.82 4.9 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.6 t -77.87 46.13 0.55 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.5 1.12 . . . . 0.0 109.96 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.58 51.47 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 120.819 -1.176 . . . . 0.0 109.368 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.69 134.46 48.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -102.41 125.83 49.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -110.72 164.08 13.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.163 0.985 . . . . 0.0 111.296 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -68.04 -39.03 83.16 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.033 1.733 . . . . 0.0 113.038 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 p -136.74 163.41 30.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.234 0.925 . . . . 0.0 110.144 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -57.99 -38.79 76.77 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.26 85.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.736 -0.603 . . . . 0.0 111.509 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -59.89 -48.1 83.07 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.4 ttp -54.32 -49.69 69.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.373 0.669 . . . . 0.0 110.029 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -59.97 -48.33 82.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.419 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.45 -50.12 65.95 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.693 1.133 . . . . 0.0 109.677 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -56.41 -54.09 49.72 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.14 -42.63 69.74 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.998 0.904 . . . . 0.0 110.536 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -60.88 -61.67 2.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -52.9 -43.77 66.44 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.643 1.577 . . . . 0.0 113.474 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.32 -24.29 17.47 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -128.99 -46.04 1.25 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.571 1.078 . . . . 0.0 113.366 -173.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -47.41 31.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.234 0.925 . . . . 0.0 112.131 -174.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 pt -79.58 -35.39 16.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 119.049 0.84 . . . . 0.0 109.093 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.966 0.906 . . . . 0.0 110.031 179.569 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.131 0 O4'-C1'-N19 109.98 2.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.902 5.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.629 0 O4'-C1'-N19 110.176 2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.495 1 O4'-C1'-N19 111.963 5.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-N19 110.208 3.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.777 0 N19-C1'-C2' 108.217 -3.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 1 O4'-C1'-N19 112.439 5.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O4'-C1'-N19 110.48 3.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 O4'-C1'-C2' 102.765 -3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 1 O4'-C1'-N19 112.093 5.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 P-O3'-C3' 122.441 2.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 0 O4'-C1'-C2' 102.622 -3.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.541 0 C1'-O4'-C4' 105.497 -3.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 O4'-C1'-N19 110.921 3.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.412 0 O4'-C1'-C2' 103.32 -2.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.158 0 P-O3'-C3' 123.235 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.471 0 P-O3'-C3' 123.516 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 O4'-C4'-C3' 108.235 2.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 1 O4'-C1'-N19 111.778 4.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 122.84 2.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.754 1 O4'-C1'-N19 113.549 7.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 1 O4'-C1'-N19 112.436 5.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C4'-C3' 108.115 2.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.759 0 P-O3'-C3' 122.603 2.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.876 1 O4'-C1'-N19 111.605 4.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.618 0 O4'-C1'-C2' 102.721 -3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.994 1 O4'-C1'-N19 111.654 4.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 0 O4'-C4'-C3' 108.176 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.558 0 O4'-C1'-N19 110.597 3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.9 mtm . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -62.01 140.16 58.37 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.421 0.629 . . . . 0.0 112.093 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 74.9 80.29 0.11 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 128.959 2.904 . . . . 0.0 108.436 -175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -74.42 132.99 42.44 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -87.36 148.28 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.362 1.465 . . . . 0.0 111.454 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -66.87 126.0 27.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.902 2.081 . . . . 0.0 110.039 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -40.01 -43.43 1.56 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 126.811 2.044 . . . . 0.0 113.356 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -75.67 62.35 1.46 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.306 1.042 . . . . 0.0 109.484 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.35 -65.89 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 129.2 3.0 . . . . 0.0 115.626 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.0 -36.67 1.64 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.072 1.749 . . . . 0.0 113.106 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -52.53 -35.57 53.71 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.672 1.589 . . . . 0.0 111.939 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 18.08 61.34 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.936 0.779 . . . . 0.0 114.758 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.06 140.16 32.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.58 148.19 27.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.422 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -143.22 -50.07 0.33 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 104.55 -41.42 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 128.338 2.655 . . . . 0.0 112.263 -177.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -75.59 116.05 15.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -47.74 -51.91 20.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.436 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -53.42 -44.38 68.72 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.341 0.656 . . . . 0.0 111.109 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.52 -48.14 73.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -177.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.67 -42.16 96.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.826 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.35 -47.37 86.36 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.84 0.746 . . . . 0.0 109.686 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -37.16 71.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.125 0.57 . . . . 0.0 110.169 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -66.7 -56.75 9.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -47.05 -39.66 13.37 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.105 0.962 . . . . 0.0 112.256 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -51.3 -32.12 23.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.487 0.585 . . . . 0.0 111.985 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -60.06 -35.58 75.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.916 0.486 . . . . 0.0 110.86 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.43 -51.15 5.42 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.063 0.945 . . . . 0.0 111.333 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.4 p -80.35 -31.56 37.93 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.049 1.74 . . . . 0.0 114.47 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.97 7.22 87.56 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 119.508 -0.607 . . . . 0.0 111.597 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.68 139.08 38.55 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.051 1.425 . . . . 0.0 110.671 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -128.4 83.46 66.08 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 124.441 1.096 . . . . 0.0 109.444 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -50.3 -27.39 17.81 Favored 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 125.638 4.225 . . . . 0.0 118.617 -175.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.03 83.12 1.24 Allowed Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 119.299 0.954 . . . . 0.0 111.325 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.69 149.73 49.24 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.374 2.049 . . . . 0.0 110.608 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.52 -18.62 47.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.492 0.717 . . . . 0.0 111.738 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.3 -43.18 0.48 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.64 1.976 . . . . 0.0 115.479 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -43.55 135.41 3.71 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.485 1.114 . . . . 0.0 112.641 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.23 137.21 57.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.19 -64.36 3.15 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.55 46.43 0.64 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.376 1.07 . . . . 0.0 110.123 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -84.43 60.3 5.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.239 -0.913 . . . . 0.0 108.678 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -68.66 167.11 15.87 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.067 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.34 114.96 2.04 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 106.823 -2.511 . . . . 0.0 106.823 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -111.61 151.51 28.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.025 0.93 . . . . 0.0 109.92 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.89 -1.92 41.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -174.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.6 p -154.47 155.69 35.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.513 1.051 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.44 -46.19 89.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -61.9 -43.67 98.36 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.389 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -46.16 80.66 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.577 0.626 . . . . 0.0 109.567 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.1 -42.31 94.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.786 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.6 m -59.08 -53.54 57.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.044 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 -57.76 -41.07 81.2 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.262 0.937 . . . . 0.0 110.281 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.2 -49.96 74.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.123 0.419 . . . . 0.0 110.589 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 p -58.03 -19.93 35.06 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.09 -32.44 68.07 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.45 -0.781 . . . . 0.0 109.644 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -65.11 -34.49 78.53 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.07 0.395 . . . . 0.0 111.149 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.6 -51.84 8.76 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.628 0.771 . . . . 0.0 109.79 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.5 p -68.06 -30.22 69.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.263 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.01 19.72 66.72 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.103 0.859 . . . . 0.0 111.527 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -78.46 55.19 1.56 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.115 0.958 . . . . 0.0 111.419 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.33 67.65 5.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.461 1.904 . . . . 0.0 106.113 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -102.63 -4.71 24.76 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -75.51 84.92 2.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 119.297 0.953 . . . . 0.0 109.337 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -79.95 123.23 27.6 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.979 2.112 . . . . 0.0 111.173 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.1 120.34 9.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -76.48 66.7 2.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.788 0.835 . . . . 0.0 110.5 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 t -145.51 116.12 7.66 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.85 139.67 26.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.882 0.473 . . . . 0.0 109.972 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.22 -60.61 4.47 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 108.788 -1.725 . . . . 0.0 108.788 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.34 48.95 0.8 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.981 0.912 . . . . 0.0 109.861 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -83.19 52.48 2.2 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.944 -1.097 . . . . 0.0 109.072 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.28 131.63 45.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -94.73 136.69 34.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.96 159.13 27.58 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.066 0.946 . . . . 0.0 110.164 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 p -72.12 -32.52 67.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.257 1.023 . . . . 0.0 112.787 -178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -137.38 158.1 45.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.925 0.784 . . . . 0.0 110.592 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -56.88 -43.97 81.82 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.266 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.94 -45.22 93.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.603 1.092 . . . . 0.0 109.214 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.1 ttp -55.2 -48.17 74.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.858 0.463 . . . . 0.0 109.801 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -60.72 -47.64 85.38 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.861 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.96 -51.33 61.84 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 119.802 1.183 . . . . 0.0 109.044 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -55.87 -54.07 49.09 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.365 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.73 -43.9 66.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.846 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -66.8 0.46 Allowed 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.271 1.028 . . . . 0.0 108.511 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -45.58 -36.49 4.73 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.331 1.852 . . . . 0.0 113.453 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -105.25 -65.56 1.04 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -175.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -78.71 -35.68 44.55 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -171.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.56 -39.56 45.39 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 119.392 0.996 . . . . 0.0 108.969 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.2 mm -76.32 -26.82 17.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 122.868 0.467 . . . . 0.0 111.184 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm . . . . . 0 C--N 1.338 0.074 0 C-N-CA 124.699 1.2 . . . . 0.0 109.089 -178.484 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.835 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.019 0 P-O3'-C3' 122.873 2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.894 5.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.072 2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.491 1 O4'-C1'-N19 112.482 5.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 O4'-C1'-N19 110.806 3.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.45 0 N19-C1'-C2' 108.996 -3.252 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 109.62 2.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 1 O4'-C1'-N19 112.424 5.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.904 0 O4'-C4'-C3' 108.33 2.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.991 1 O4'-C1'-N19 113.051 6.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 P-O3'-C3' 122.697 2.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.861 0 O4'-C1'-C2' 102.501 -3.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.371 0 C1'-O4'-C4' 105.969 -2.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.836 0 O4'-C1'-N19 110.419 3.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.786 0 O4'-C1'-C2' 102.961 -2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.931 1 O4'-C1'-N19 112.846 6.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 122.687 2.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C1'-C2' 102.648 -3.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.749 1 O4'-C1'-N19 112.706 6.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.727 0 O4'-C1'-N19 110.223 3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . 0.506 ' H42' ' CD2' ' A' ' 58' ' ' HIS . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 113.881 7.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.668 1 O4'-C1'-N19 113.668 7.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C4'-C3' 108.381 2.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.777 0 P-O3'-C3' 122.553 2.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 1 O4'-C1'-N19 112.458 5.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.619 0 P-O3'-C3' 122.702 2.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.979 1 O4'-C1'-N19 111.554 4.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.585 0 O4'-C4'-C3' 108.268 2.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.705 0 O4'-C1'-N19 110.257 3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpp? . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -57.73 131.0 48.97 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.62 0.368 . . . . 0.0 110.279 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -74.11 121.78 21.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -78.72 123.76 27.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.1 mt -92.68 142.92 12.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.471 0.708 . . . . 0.0 110.913 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 132.56 54.03 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.626 1.17 . . . . 0.0 110.647 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 p -55.21 -42.67 73.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.287 1.435 . . . . 0.0 111.567 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -75.28 65.2 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.206 1.002 . . . . 0.0 109.887 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.02 -63.48 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 129.227 3.011 . . . . 0.0 115.4 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.35 -38.11 2.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.866 1.666 . . . . 0.0 112.969 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -53.8 -35.99 61.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.345 1.458 . . . . 0.0 111.987 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.83 25.3 58.89 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.34 0.971 . . . . 0.0 113.792 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.36 24.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.931 0.865 . . . . 0.0 108.792 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.51 144.99 24.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.65 141.23 29.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.545 0.611 . . . . 0.0 112.332 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 0.55 0.13 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 118.117 2.636 . . . . 0.0 118.117 -174.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 150.93 29.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.109 1.322 . . . . 0.0 111.525 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -55.47 -56.47 19.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.89 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -53.59 -41.85 67.03 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.971 0.908 . . . . 0.0 110.708 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -61.49 -50.47 72.61 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.35 -38.07 85.6 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.289 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.37 -47.42 81.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 119.944 1.247 . . . . 0.0 110.003 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.76 -45.67 78.03 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -59.05 -53.87 53.55 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.352 -0.843 . . . . 0.0 110.559 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -54.2 -31.97 54.41 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.901 0.88 . . . . 0.0 111.953 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.1 p -54.24 -30.89 51.85 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.395 0.998 . . . . 0.0 110.736 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -58.88 -41.68 87.71 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.231 0.613 . . . . 0.0 111.258 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -86.0 -50.38 7.1 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.515 0.726 . . . . 0.0 111.368 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -84.28 -29.95 26.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -171.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.24 8.59 83.65 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.77 150.7 32.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.807 1.303 . . . . 0.0 111.062 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -134.99 77.4 56.37 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -48.25 -22.01 3.5 Favored 'Trans proline' 0 C--N 1.346 0.407 1 C-N-CA 125.786 4.324 . . . . 0.0 119.223 -173.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.67 79.58 2.5 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 119.592 1.087 . . . . 0.0 111.484 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -73.02 143.99 37.24 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.494 2.129 . . . . 0.0 110.342 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -77.21 -10.38 59.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.973 1.309 . . . . 0.0 113.672 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm 71.65 -53.86 0.68 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.079 1.752 . . . . 0.0 113.754 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -41.71 131.55 3.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.846 1.658 . . . . 0.0 113.391 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.19 138.82 57.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.24 -63.99 3.21 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.49 45.29 0.56 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.715 1.206 . . . . 0.0 109.597 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -84.31 59.22 5.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.226 -0.921 . . . . 0.0 108.65 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -65.91 157.49 30.5 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.88 105.48 1.0 Allowed Glycine 0 C--N 1.333 0.395 0 N-CA-C 106.706 -2.558 . . . . 0.0 106.706 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.8 148.7 24.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.977 0.888 . . . . 0.0 110.536 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 p -91.53 -10.88 39.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.411 1.084 . . . . 0.0 111.947 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.3 p -143.95 150.1 37.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.726 0.693 . . . . 0.0 111.081 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.48 -40.68 87.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.506 ' CD2' ' H42' ' F' ' 22' ' ' ' DC' . 6.0 t60 -57.36 -50.89 71.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.157 177.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.18 -40.42 89.92 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.248 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.64 -43.12 99.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.408 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -61.73 -53.13 60.17 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.51 0.724 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -61.39 -41.02 96.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -54.7 -47.04 74.18 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.786 -0.571 . . . . 0.0 109.59 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -54.32 -25.51 24.34 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.14 -32.45 62.11 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.246 0.93 . . . . 0.0 110.311 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 p -66.46 -30.82 71.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.976 0.353 . . . . 0.0 110.994 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.06 -49.13 13.16 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.017 0.927 . . . . 0.0 109.339 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.5 p -73.06 -23.38 60.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.94 26.61 59.99 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -80.32 49.11 1.09 Allowed 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.675 -0.897 . . . . 0.0 111.92 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -79.09 62.73 3.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.657 1.983 . . . . 0.0 108.317 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -104.01 5.22 35.27 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -76.12 85.59 2.98 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 120.247 1.385 . . . . 0.0 108.843 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.7 m -78.0 124.48 28.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.659 1.984 . . . . 0.0 111.522 -173.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.4 t -65.08 118.76 9.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.66 73.54 2.01 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -150.48 110.73 4.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.31 132.52 24.44 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.794 0.838 . . . . 0.0 110.964 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.7 -56.22 4.91 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.1 t -77.85 44.59 0.47 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.072 1.349 . . . . 0.0 109.737 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -84.31 52.66 2.4 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 120.837 -1.164 . . . . 0.0 109.763 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.34 134.99 53.72 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -105.98 120.22 41.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 124.072 0.949 . . . . 0.0 108.496 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -108.25 167.18 10.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.211 1.004 . . . . 0.0 111.681 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -68.49 -46.46 69.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.535 1.534 . . . . 0.0 113.139 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 p -132.86 162.95 30.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.265 0.939 . . . . 0.0 109.962 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.55 -51.07 51.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.304 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 -30.69 70.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -62.97 -49.58 74.17 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -57.41 -42.95 83.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.85 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.32 -53.65 54.04 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.015 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -50.53 -52.2 40.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.235 0.925 . . . . 0.0 109.456 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -55.72 -55.59 30.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.563 0.22 . . . . 0.0 110.469 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -51.79 -43.53 63.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.574 0.75 . . . . 0.0 110.11 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -63.28 -61.05 2.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.666 0.786 . . . . 0.0 109.584 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -50.68 -40.96 55.06 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.496 1.119 . . . . 0.0 113.178 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -99.66 -19.87 16.59 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -134.02 -63.15 0.74 Allowed 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 119.867 1.212 . . . . 0.0 110.188 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.66 60.02 3.21 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.667 0.667 . . . . 0.0 111.206 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.6 mt -75.65 -35.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 CA--C 1.533 0.296 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.338 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.455 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 P-O3'-C3' 122.907 2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.499 1 O4'-C1'-N19 111.657 4.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 P-O3'-C3' 123.879 3.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.517 1 O4'-C1'-N19 112.595 5.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 0 N19-C1'-C2' 108.973 -3.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.351 2 O4'-C1'-N19 112.311 5.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 P-O3'-C3' 123.394 3.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 O4'-C1'-C2' 102.74 -3.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.476 1 O4'-C1'-N19 111.853 5.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C1'-N19 109.891 2.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.862 1 O4'-C1'-N19 112.738 6.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.207 0 P-O3'-C3' 122.619 2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 O4'-C1'-N19 111.154 4.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 0 O4'-C1'-N19 110.683 3.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.826 0 O4'-C1'-C2' 102.359 -3.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 P-O3'-C3' 123.603 3.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.735 0 O4'-C1'-C2' 103.191 -2.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 1 O4'-C1'-N19 112.727 6.158 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 109.976 2.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.267 1 O4'-C1'-N19 112.051 5.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.896 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 0 N19-C1'-C2' 110.02 -2.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.41 0 O4'-C4'-C3' 108.243 2.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 1 O4'-C1'-N19 111.825 5.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.481 0 P-O3'-C3' 122.712 2.51 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.919 1 O4'-C1'-N19 111.885 5.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C4'-C3' 108.038 2.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 O4'-C1'-N19 110.247 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtt . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -82.31 99.68 9.49 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -57.3 122.39 12.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.403 0.281 . . . . 0.0 110.461 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -78.17 129.76 35.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.55 143.93 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.59 122.97 16.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.363 1.465 . . . . 0.0 110.444 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -45.87 -40.4 9.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 126.392 1.877 . . . . 0.0 112.842 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -75.58 63.66 1.56 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.247 1.019 . . . . 0.0 109.534 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.88 -65.8 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 129.182 2.993 . . . . 0.0 115.494 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.37 -37.38 2.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 113.094 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.2 t -54.18 -35.74 62.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.15 1.38 . . . . 0.0 112.131 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.79 25.59 61.63 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.158 0.885 . . . . 0.0 114.256 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.51 146.11 24.36 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.125 0.963 . . . . 0.0 108.477 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.24 146.88 24.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -147.75 153.07 38.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.558 0.617 . . . . 0.0 110.871 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -73.98 -48.74 28.29 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.176 0.99 . . . . 0.0 112.424 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -84.74 131.46 34.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.843 -0.536 . . . . 0.0 110.101 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.86 -45.35 70.96 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.217 -0.302 . . . . 0.0 110.82 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -56.6 -38.27 71.81 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.332 0.653 . . . . 0.0 111.596 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -63.4 -48.97 75.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.05 -38.22 85.4 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.293 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -60.14 -48.23 82.61 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 119.606 1.094 . . . . 0.0 109.602 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.89 -47.03 74.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.25 -56.93 15.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.807 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -52.36 -31.85 35.6 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.558 1.143 . . . . 0.0 112.291 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 p -53.05 -31.95 44.2 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.073 0.851 . . . . 0.0 111.134 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.17 -40.38 81.31 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.38 0.536 . . . . 0.0 111.573 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.09 -48.04 7.68 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.258 0.623 . . . . 0.0 111.341 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -83.2 -30.31 27.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.38 83.92 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -172.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -79.09 144.36 34.65 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.797 1.298 . . . . 0.0 110.917 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -132.53 78.07 68.28 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -49.29 -24.05 7.84 Favored 'Trans proline' 0 C--N 1.346 0.413 1 C-N-CA 125.322 4.015 . . . . 0.0 118.56 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.31 79.61 3.98 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 119.595 1.089 . . . . 0.0 111.174 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.91 149.17 36.74 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.15 1.9 . . . . 0.0 110.505 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.5 t -82.42 127.12 32.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -77.38 -7.16 55.65 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -172.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -65.1 120.39 12.57 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.888 0.767 . . . . 0.0 110.314 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.11 69.97 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.199 1.4 . . . . 0.0 111.043 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 162.15 -61.5 0.28 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.3 -2.72 . . . . 0.0 106.3 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.9 t -79.62 56.34 2.2 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -80.98 62.33 4.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.855 0.862 . . . . 0.0 109.681 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -68.31 161.82 26.52 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.05 103.96 0.8 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -103.13 148.59 25.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.286 1.043 . . . . 0.0 109.13 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 p -90.91 -5.81 54.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.561 0.745 . . . . 0.0 112.425 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -150.58 144.2 25.14 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.749 0.704 . . . . 0.0 111.025 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.5 tp -56.59 -41.15 76.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -49.69 71.95 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.38 -42.99 98.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -58.04 -41.18 82.67 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -59.97 -55.3 35.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.344 0.658 . . . . 0.0 109.973 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -62.15 -39.53 92.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.027 -1.069 . . . . 0.0 110.933 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.78 -45.12 70.58 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.557 -0.715 . . . . 0.0 109.881 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 m -54.81 -23.54 18.73 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.9 -33.21 55.92 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.385 0.993 . . . . 0.0 110.434 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -65.44 -31.33 72.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.429 0.292 . . . . 0.0 111.264 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.72 -48.91 12.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.099 0.959 . . . . 0.0 109.59 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -69.89 -24.67 63.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.378 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.73 32.5 57.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.34 45.65 0.67 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.942 -0.74 . . . . 0.0 111.909 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -79.22 66.65 4.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.327 1.851 . . . . 0.0 108.637 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -110.88 3.83 19.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -75.91 85.22 2.84 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 119.853 1.206 . . . . 0.0 110.165 -175.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.4 m -75.37 119.65 19.76 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.776 2.03 . . . . 0.0 112.255 -173.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.5 t -58.39 120.41 8.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.417 1.087 . . . . 0.0 108.122 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -76.17 71.76 2.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -152.05 116.75 5.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.11 139.95 27.11 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.999 0.519 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.51 4.37 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.17 48.79 0.77 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.992 0.917 . . . . 0.0 109.802 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -83.25 53.51 2.5 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.946 -1.096 . . . . 0.0 109.362 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.79 126.24 29.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -98.33 120.16 38.26 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -108.99 173.82 6.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.807 1.243 . . . . 0.0 113.13 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.4 p -72.96 -48.06 39.97 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.186 2.194 . . . . 0.0 113.736 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.4 p -136.15 159.94 40.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.911 1.232 . . . . 0.0 109.413 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -57.17 -30.42 64.46 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.904 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.57 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.146 1.339 . . . . 0.0 111.086 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -60.15 -46.41 89.76 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.6 ttp -56.3 -51.48 68.04 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.689 0.796 . . . . 0.0 111.264 178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -58.59 -54.1 50.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.63 0.772 . . . . 0.0 109.373 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -52.22 -52.64 51.1 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.409 0.55 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -55.52 -54.54 42.69 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.914 0.325 . . . . 0.0 110.177 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -53.9 -44.93 70.92 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.913 0.485 . . . . 0.0 110.654 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.25 -66.16 0.53 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -46.95 -38.05 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.084 2.154 . . . . 0.0 113.136 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -99.95 -70.47 0.73 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.914 0.886 . . . . 0.0 113.001 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.43 -38.0 50.47 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -35.65 61.68 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.316 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.7 mm -75.75 -54.6 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm . . . . . 0 CA--C 1.529 0.164 0 O-C-N 121.27 -0.894 . . . . 0.0 108.828 179.584 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.422 0 O4'-C1'-N19 110.871 3.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.299 1 O4'-C1'-N19 111.291 4.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 112.17 5.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 0 P-O3'-C3' 123.929 3.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 1 O4'-C1'-N19 112.166 5.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.654 0 O4'-C1'-N19 110.59 3.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.342 0 N19-C1'-C2' 108.874 -3.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 109.868 2.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.441 1 O4'-C1'-N19 111.979 5.223 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 0 P-O3'-C3' 123.697 3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.681 1 O4'-C1'-N19 111.793 4.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 P-O3'-C3' 122.762 2.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 O4'-C1'-C2' 102.331 -3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.369 0 O4'-C1'-N19 110.519 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 1 O4'-C1'-N19 111.192 4.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.683 1 O4'-C1'-N19 112.618 6.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.776 0 O4'-C1'-N19 110.219 3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.089 0 O4'-C4'-C3' 107.902 2.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.964 0 O4'-C1'-C2' 102.352 -3.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.594 1 O4'-C1'-N19 111.725 4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.718 0 P-O3'-C3' 122.811 2.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.617 4.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 1 O4'-C1'-N19 112.316 5.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C4'-C3' 108.364 2.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 P-O3'-C3' 122.714 2.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-N19 112.207 5.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.565 0 O4'-C1'-C2' 102.946 -2.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.01 1 O4'-C1'-N19 111.725 4.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C4'-C3' 108.16 2.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 0 O4'-C1'-N19 110.309 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 tpp . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -70.19 116.74 10.9 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 148.65 51.27 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.153 0.433 . . . . 0.0 110.834 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -77.54 133.74 38.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 171.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.45 143.14 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 118.402 0.546 . . . . 0.0 111.382 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.7 t -58.64 127.85 34.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.83 1.652 . . . . 0.0 110.562 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.23 -45.03 5.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.601 1.961 . . . . 0.0 112.737 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.81 64.32 1.77 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.069 0.948 . . . . 0.0 109.737 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.57 -64.55 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.833 2.853 . . . . 0.0 115.426 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -42.92 -37.97 2.04 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.082 1.753 . . . . 0.0 113.098 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -52.42 -36.63 54.74 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.641 1.576 . . . . 0.0 111.983 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.54 20.05 60.95 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.881 0.753 . . . . 0.0 114.007 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.24 146.26 26.61 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.18 141.45 20.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -145.97 145.33 30.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.056 0.942 . . . . 0.0 108.745 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -78.63 -36.21 44.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.6 130.51 34.46 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.782 -0.574 . . . . 0.0 109.886 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -54.13 -51.2 64.99 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.406 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -53.79 -40.88 66.67 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.339 0.655 . . . . 0.0 110.8 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.06 -44.5 79.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -39.49 94.73 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -62.39 -45.95 90.81 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.79 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -54.56 -54.53 40.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.434 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 mt -52.45 -32.85 41.55 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 117.971 -1.014 . . . . 0.0 112.402 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 p -49.7 -32.14 12.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.197 0.908 . . . . 0.0 111.544 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -55.05 -41.4 71.4 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.678 0.672 . . . . 0.0 111.319 176.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -90.8 -48.52 6.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.216 1.006 . . . . 0.0 111.835 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.1 p -93.02 -21.75 19.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.82 13.45 72.07 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -174.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.98 137.76 39.22 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.804 1.302 . . . . 0.0 109.914 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -132.89 80.64 60.21 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -46.77 -25.97 4.18 Favored 'Trans proline' 0 C--N 1.346 0.423 1 C-N-CA 125.692 4.262 . . . . 0.0 118.979 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.37 81.47 3.04 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 119.265 0.939 . . . . 0.0 111.538 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.25 146.66 28.59 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.184 1.923 . . . . 0.0 111.377 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.98 -28.11 43.49 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.216 0.606 . . . . 0.0 110.467 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 65.57 -31.96 0.15 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -45.04 139.68 3.08 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.496 1.118 . . . . 0.0 112.053 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -51.43 129.35 25.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.151 0.98 . . . . 0.0 109.299 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.38 -61.37 3.54 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.5 t -78.05 49.81 0.83 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.869 0.867 . . . . 0.0 111.215 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -82.54 62.8 6.38 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -69.82 162.07 28.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.563 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.92 102.92 0.64 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -97.56 147.45 24.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 118.214 1.007 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -89.69 -7.95 53.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.929 0.892 . . . . 0.0 112.665 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.413 ' HG ' ' CG ' ' A' ' 59' ' ' HIS . 39.8 p -147.76 153.67 39.53 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.414 1.006 . . . . 0.0 111.492 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.56 -40.99 84.63 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -57.1 -50.51 72.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.413 ' CG ' ' HG ' ' A' ' 56' ' ' SER . 1.6 m-70 -59.68 -41.5 90.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.165 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.6 -46.56 89.78 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.488 0.661 . . . . 0.0 110.472 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.0 m -60.18 -55.07 38.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.837 0.855 . . . . 0.0 110.636 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -60.93 -40.93 95.09 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -56.09 -43.18 77.8 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.688 -0.632 . . . . 0.0 109.747 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -56.99 -21.6 31.89 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.77 -30.73 70.99 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.276 -0.89 . . . . 0.0 109.678 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 p -69.19 -34.35 74.78 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.337 0.517 . . . . 0.0 111.034 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -76.45 -50.32 14.37 Favored 'General case' 0 C--N 1.339 0.13 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.4 p -70.12 -26.46 63.97 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.03 21.92 69.8 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.531 1.063 . . . . 0.0 111.23 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.07 56.97 2.11 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.843 0.821 . . . . 0.0 112.236 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -76.44 72.13 3.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.084 1.754 . . . . 0.0 108.232 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -105.55 -2.79 23.15 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -75.98 87.23 2.91 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 120.476 1.489 . . . . 0.0 109.348 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.76 119.35 21.15 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.753 2.021 . . . . 0.0 111.391 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.39 115.74 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -74.43 74.42 1.91 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 t -148.26 112.6 5.27 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.55 131.05 21.11 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.947 0.899 . . . . 0.0 110.98 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.38 -55.97 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.64 45.08 0.48 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.823 1.249 . . . . 0.0 109.973 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.16 51.48 2.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 120.868 -1.145 . . . . 0.0 109.733 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.36 136.58 53.6 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.33 125.76 49.14 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -108.43 161.29 15.17 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.614 1.166 . . . . 0.0 111.802 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.7 -44.41 77.76 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.238 1.415 . . . . 0.0 112.208 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -131.55 160.49 35.11 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.165 0.586 . . . . 0.0 110.462 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -59.72 -44.75 93.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.13 -35.0 79.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.46 -0.775 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.79 -44.98 91.74 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.464 1.029 . . . . 0.0 109.011 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.3 ttp -54.84 -48.48 72.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -60.73 -47.82 84.55 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.8 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.96 -51.13 62.51 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 119.942 1.246 . . . . 0.0 109.034 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -56.27 -54.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.65 -44.12 69.35 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.835 0.826 . . . . 0.0 110.35 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.28 -64.3 1.0 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.5 ttm105 -47.64 -46.82 29.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.79 1.636 . . . . 0.0 112.691 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -90.2 -35.06 15.57 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -114.57 -39.06 3.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.166 0.894 . . . . 0.0 113.209 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -44.69 25.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 119.109 0.868 . . . . 0.0 110.962 -178.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.3 pt -115.75 -9.75 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.544 0.738 . . . . 0.0 112.475 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.3 tptp . . . . . 0 CA--C 1.533 0.297 0 C-N-CA 123.639 0.776 . . . . 0.0 110.897 -179.275 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.188 0 P-O3'-C3' 122.837 2.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.86 0 P-O3'-C3' 122.901 2.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.708 1 O4'-C1'-N19 112.405 5.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.56 0 O4'-C4'-C3' 108.437 2.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.853 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.404 1 O4'-C1'-N19 111.613 4.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.336 4.42 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 P-O3'-C3' 122.938 2.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.662 1 O4'-C1'-N19 111.883 5.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 P-O3'-C3' 123.037 2.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-C2' 102.778 -3.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.369 0 O4'-C1'-N19 110.342 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C1'-C2' 103.52 -2.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.946 0 O4'-C1'-N19 110.702 3.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 P-O3'-C3' 123.295 2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.87 0 O4'-C1'-C2' 102.739 -3.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.833 1 O4'-C1'-N19 112.935 6.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 0 O4'-C4'-C3' 107.862 2.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 112.785 6.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.813 1 O4'-C1'-N19 111.874 5.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.393 0 O4'-C1'-N19 109.714 2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 0 P-O3'-C3' 123.018 2.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.997 1 O4'-C1'-N19 112.141 5.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 0 O4'-C1'-C2' 103.032 -2.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.961 1 O4'-C1'-N19 111.715 4.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.625 0 O4'-C4'-C3' 108.183 2.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 O4'-C1'-N19 110.418 3.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -68.22 142.3 55.69 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.402 1.081 . . . . 0.0 109.644 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.85 137.07 44.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -79.46 136.21 36.87 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 103.676 -2.712 . . . . 0.0 103.676 169.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mt -110.54 142.01 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.635 0.774 . . . . 0.0 110.405 -176.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -65.96 115.82 6.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.598 1.159 . . . . 0.0 109.122 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.05 -33.04 10.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.368 1.867 . . . . 0.0 114.399 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -74.65 57.26 0.74 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.328 1.051 . . . . 0.0 112.486 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 8.85 -77.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.874 3.269 . . . . 0.0 116.39 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.6 -40.69 20.0 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 125.111 1.365 . . . . 0.0 111.893 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -83.74 69.29 10.16 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 52.24 0.52 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 127.262 2.363 . . . . 0.0 113.248 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.43 146.7 26.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.44 142.68 20.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -151.65 146.68 25.98 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.194 0.452 . . . . 0.0 110.35 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -39.41 75.17 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.883 0.473 . . . . 0.0 110.479 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -78.39 111.46 14.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.352 0.596 . . . . 0.0 111.588 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -40.74 -57.61 1.86 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.091 1.757 . . . . 0.0 110.429 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -53.7 -40.28 65.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.243 1.017 . . . . 0.0 112.467 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -66.03 -46.89 76.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.36 -37.59 87.86 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -60.59 -49.3 78.07 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.799 1.182 . . . . 0.0 109.251 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -43.56 74.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 109.905 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -60.83 -58.28 9.1 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.6 -37.44 49.96 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.753 -0.592 . . . . 0.0 111.972 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -55.27 -30.21 59.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.145 0.43 . . . . 0.0 111.786 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -57.01 -37.35 71.57 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.028 0.376 . . . . 0.0 110.382 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.0 -52.62 4.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.857 0.863 . . . . 0.0 111.521 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -79.55 -29.7 41.46 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.141 1.377 . . . . 0.0 114.526 -172.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.46 6.73 84.6 Favored Glycine 0 CA--C 1.536 1.389 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.29 127.35 31.96 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.154 1.477 . . . . 0.0 109.484 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -126.9 83.68 65.11 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 124.209 1.004 . . . . 0.0 109.432 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -51.54 -22.31 12.36 Favored 'Trans proline' 0 C--N 1.348 0.539 1 C-N-CA 125.807 4.338 . . . . 0.0 118.716 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.12 79.45 1.57 Allowed Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 119.569 1.077 . . . . 0.0 110.302 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -73.75 144.31 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.199 1.933 . . . . 0.0 110.452 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.9 t -86.47 89.64 7.96 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.97 46.01 0.22 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.39 139.21 31.4 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.142 1.777 . . . . 0.0 107.098 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.59 129.41 40.8 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.85 -55.28 3.46 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.1 53.08 0.94 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.811 1.245 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.67 65.24 4.78 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.558 0.743 . . . . 0.0 110.692 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.19 164.15 26.71 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 106.25 0.86 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 108.028 -2.029 . . . . 0.0 108.028 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.03 157.04 18.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.089 0.944 . . . . 0.0 109.665 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -102.78 -1.51 29.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.436 1.094 . . . . 0.0 112.844 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.472 ' HG ' ' CG ' ' A' ' 59' ' ' HIS . 22.9 p -154.25 150.27 27.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 118.847 0.748 . . . . 0.0 110.105 176.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.9 tp -59.92 -37.07 78.41 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.594 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -47.74 85.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.978 -0.451 . . . . 0.0 110.035 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.472 ' CG ' ' HG ' ' A' ' 56' ' ' SER . 3.8 m-70 -57.76 -48.7 78.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 tp -55.44 -40.41 71.53 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.1 m -59.87 -53.41 58.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.074 0.55 . . . . 0.0 109.638 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -62.27 -40.29 95.74 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -55.34 -45.22 76.45 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.551 -0.718 . . . . 0.0 109.891 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.6 m -57.79 -17.52 16.34 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.15 -32.92 71.49 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.048 -1.032 . . . . 0.0 109.345 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.9 p -65.2 -34.13 77.65 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.073 0.397 . . . . 0.0 110.832 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.09 -51.21 9.87 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.738 0.815 . . . . 0.0 109.762 -177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.4 p -69.74 -27.41 64.93 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.247 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.08 20.29 70.44 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.398 0.999 . . . . 0.0 111.41 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.37 52.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.149 0.975 . . . . 0.0 112.151 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -78.26 65.82 3.7 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.217 2.207 . . . . 0.0 107.836 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -102.61 1.28 34.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 -172.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -75.83 83.33 2.77 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 120.181 1.355 . . . . 0.0 109.489 -176.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -79.3 120.75 24.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.147 2.179 . . . . 0.0 110.725 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.71 108.16 1.11 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 172.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -73.76 72.02 1.49 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.957 0.408 . . . . 0.0 110.025 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.0 t -140.55 115.64 9.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.88 130.37 18.01 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 -177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.35 -56.08 4.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.77 44.71 0.47 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.782 1.233 . . . . 0.0 110.074 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.7 53.39 2.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.037 -1.039 . . . . 0.0 109.832 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.82 130.54 42.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.82 122.93 41.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.979 1.311 . . . . 0.0 108.782 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.73 160.26 17.47 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.939 0.895 . . . . 0.0 111.381 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.3 p -70.93 -33.96 71.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.12 1.368 . . . . 0.0 112.741 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 p -137.5 157.23 47.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.902 0.774 . . . . 0.0 110.517 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -57.03 -42.95 81.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.79 95.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.052 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.59 -46.05 91.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.369 0.986 . . . . 0.0 109.126 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.0 ttp -54.01 -49.33 69.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.116 0.566 . . . . 0.0 109.861 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.91 -47.62 85.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.984 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.42 -48.71 71.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.724 1.147 . . . . 0.0 109.262 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -56.78 -54.45 46.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -52.1 -43.16 63.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.152 0.977 . . . . 0.0 110.437 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.96 -62.99 1.4 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -50.15 -41.74 49.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.027 1.331 . . . . 0.0 113.645 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -100.17 -19.7 16.31 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -129.24 -48.93 1.19 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 119.864 1.211 . . . . 0.0 110.637 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.77 51.6 1.33 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.28 0.946 . . . . 0.0 111.748 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 pp -129.73 20.95 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.779 2.032 . . . . 0.0 110.142 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 O-C-N 121.29 -0.881 . . . . 0.0 109.298 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.519 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.369 1 O4'-C1'-N19 111.083 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.517 1 O4'-C1'-N19 111.973 5.216 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 P-O3'-C3' 123.424 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.578 1 O4'-C1'-N19 112.345 5.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.42 0 O4'-C4'-C3' 108.489 2.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 O4'-C1'-N19 110.286 3.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 112.224 5.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 1 O4'-C1'-N19 111.743 4.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 P-O3'-C3' 123.798 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 1 O4'-C1'-N19 113.064 6.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 P-O3'-C3' 123.121 2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 O4'-C1'-N19 110.702 3.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.394 0 O4'-C1'-N19 110.148 2.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 O4'-C1'-C2' 103.257 -2.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.073 0 O4'-C1'-N19 110.634 3.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.602 1 O4'-C1'-N19 111.896 5.12 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 0 P-O3'-C3' 123.14 2.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 0 O4'-C1'-C2' 102.125 -3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 1 O4'-C1'-N19 112.692 6.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.434 3.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 1 O4'-C1'-N19 112.359 5.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.809 1 O4'-C1'-N19 112.58 5.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C4'-C3' 108.246 2.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.506 0 O4'-C4'-C3' 108.038 2.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.869 1 O4'-C1'-N19 112.419 5.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.653 0 P-O3'-C3' 122.942 2.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.04 1 O4'-C1'-N19 111.242 4.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C4'-C3' 108.076 2.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.619 0 P-O3'-C3' 123.058 2.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -74.21 145.74 43.9 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -128.0 145.07 51.09 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -77.14 133.42 38.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -108.36 142.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.779 0.831 . . . . 0.0 109.816 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.2 t -61.49 119.03 7.78 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.655 1.182 . . . . 0.0 109.648 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -41.16 -42.35 2.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.928 2.091 . . . . 0.0 112.955 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -75.81 63.49 1.67 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.785 1.234 . . . . 0.0 109.104 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.03 -63.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 129.095 2.958 . . . . 0.0 115.405 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.38 -37.5 2.33 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.877 1.671 . . . . 0.0 113.095 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 t -54.65 -34.9 62.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.257 1.423 . . . . 0.0 112.065 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.04 15.36 60.42 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.13 0.871 . . . . 0.0 115.048 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.24 136.7 35.84 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.898 1.349 . . . . 0.0 108.294 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.05 142.36 20.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -153.78 147.71 25.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.327 0.651 . . . . 0.0 109.486 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -74.59 -29.5 61.34 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.638 -0.664 . . . . 0.0 110.661 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -78.54 111.84 15.0 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.889 0.475 . . . . 0.0 111.036 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -50.26 -51.74 42.13 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 124.205 1.002 . . . . 0.0 110.539 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 25.6 p-90 -52.77 -42.33 64.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.14 0.576 . . . . 0.0 110.303 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -70.25 -46.99 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.435 0.694 . . . . 0.0 110.73 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.22 -45.45 94.52 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -57.52 -46.66 83.56 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 -34.38 64.75 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 122.65 0.38 . . . . 0.0 110.489 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.52 -55.04 8.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.379 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -44.0 -39.78 4.32 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.929 0.892 . . . . 0.0 112.504 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 p -43.2 -39.52 2.96 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.12 0.568 . . . . 0.0 112.309 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -53.42 -44.7 68.97 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.922 0.889 . . . . 0.0 112.009 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -91.12 -47.78 7.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.675 0.79 . . . . 0.0 111.58 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -81.8 -28.3 33.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.05 11.34 85.26 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -172.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -76.69 130.54 37.91 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.874 1.337 . . . . 0.0 109.89 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -132.8 80.37 61.37 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.92 -27.12 26.82 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 124.834 3.689 . . . . 0.0 117.803 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -115.19 72.48 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.341 0.973 . . . . 0.0 112.594 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.45 162.04 36.54 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.518 2.145 . . . . 0.0 109.801 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -80.49 -13.61 58.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.611 1.564 . . . . 0.0 112.842 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.66 -47.38 0.67 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.697 1.599 . . . . 0.0 114.313 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -43.04 140.72 1.34 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.279 1.432 . . . . 0.0 112.958 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mp0 -55.09 130.01 40.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.95 -64.14 3.1 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.78 58.93 2.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.31 0.644 . . . . 0.0 109.853 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.67 -30.97 41.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.368 0.667 . . . . 0.0 109.694 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 44.77 -146.15 0.12 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.777 2.031 . . . . 0.0 111.379 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.77 81.65 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -93.01 153.98 18.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 p -93.45 -8.05 42.72 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.454 ' HG ' ' CD2' ' A' ' 58' ' ' HIS . 4.4 p -147.8 161.43 41.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.203 0.91 . . . . 0.0 108.864 177.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.1 -41.4 97.29 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.454 ' CD2' ' HG ' ' A' ' 56' ' ' SER . 10.1 p-80 -69.34 -38.25 78.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.236 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -56.57 -47.37 79.65 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 173.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.13 -38.73 90.07 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.3 m -60.88 -48.68 80.68 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.242 -0.912 . . . . 0.0 110.031 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -60.59 -41.37 94.57 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.801 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -55.43 -45.06 76.79 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.787 0.721 . . . . 0.0 109.973 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 m -55.79 -20.14 13.93 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.9 mt -59.96 -31.78 70.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.354 -0.841 . . . . 0.0 109.704 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.5 p -65.59 -36.35 83.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.257 0.48 . . . . 0.0 111.165 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -78.3 -51.22 10.45 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.813 0.445 . . . . 0.0 110.028 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.0 p -67.61 -27.87 67.26 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.75 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 23.08 71.59 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.089 0.852 . . . . 0.0 111.567 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -79.5 54.26 1.71 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.088 0.944 . . . . 0.0 111.9 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.52 68.06 3.55 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.82 2.448 . . . . 0.0 107.956 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.54 -2.99 21.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.29 85.52 2.47 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 119.975 1.261 . . . . 0.0 109.723 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -78.58 120.19 22.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.664 1.985 . . . . 0.0 110.684 -175.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.03 119.78 8.98 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -76.23 68.11 2.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.638 0.775 . . . . 0.0 109.905 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -143.17 116.08 8.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 132.3 29.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.66 0.784 . . . . 0.0 110.719 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.3 -56.74 4.88 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.75 45.68 0.52 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.699 1.199 . . . . 0.0 109.965 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.75 52.01 2.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 120.887 -1.133 . . . . 0.0 109.366 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.17 135.23 48.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -98.1 121.75 40.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.066 1.346 . . . . 0.0 108.745 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -108.51 159.64 16.53 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.874 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.43 -52.75 23.83 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.312 1.445 . . . . 0.0 111.817 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.1 p -120.42 157.35 29.5 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.346 0.521 . . . . 0.0 110.212 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -58.9 -40.49 84.65 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 174.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.49 90.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.57 -0.706 . . . . 0.0 111.346 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.03 -44.33 96.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 108.788 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.4 ttp -55.18 -47.97 74.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.53 -48.46 81.66 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.768 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -52.69 -50.97 62.25 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.955 1.252 . . . . 0.0 109.071 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -56.26 -54.05 49.95 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -54.87 -42.29 71.87 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.86 0.838 . . . . 0.0 110.302 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -60.66 -59.9 4.65 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -54.92 -42.95 72.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.563 1.545 . . . . 0.0 113.164 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -94.42 -27.55 15.97 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -125.66 -45.0 1.79 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 119.39 0.995 . . . . 0.0 113.133 -172.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -44.45 54.64 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.168 0.894 . . . . 0.0 111.899 -174.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.2 pt -77.18 -34.14 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 119.279 0.945 . . . . 0.0 109.249 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.524 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.502 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.191 1 O4'-C1'-N19 111.564 4.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 1 O4'-C1'-N19 111.998 5.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 0 P-O3'-C3' 123.844 3.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.623 1 O4'-C1'-N19 111.687 4.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.642 0 O4'-C1'-N19 110.776 3.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 N19-C1'-C2' 109.093 -3.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 109.964 2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 2 O4'-C1'-N19 114.501 8.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 P-O3'-C3' 123.546 3.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 1 O4'-C1'-N19 112.138 5.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 123.144 2.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.759 0 O4'-C1'-C2' 102.669 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.498 0 O4'-C1'-N19 110.416 3.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.817 0 O4'-C1'-N19 110.634 3.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.847 0 O4'-C1'-N19 109.918 2.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 1 O4'-C1'-N19 111.866 5.083 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C4'-C3' 108.209 2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-C2' 102.134 -3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 0 O4'-C1'-N19 110.086 2.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 113.942 7.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 1 O4'-C1'-N19 113.085 6.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C4'-C3' 108.291 2.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 P-O3'-C3' 122.696 2.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 1 O4'-C1'-N19 111.796 4.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.787 0 O4'-C1'-N19 110.536 3.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.027 1 O4'-C1'-N19 111.204 4.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.624 0 O4'-C4'-C3' 108.398 2.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.203 0 C4'-C3'-C2' 100.803 -2.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -167.05 168.54 13.64 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.595 1.958 . . . . 0.0 105.856 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 81.78 136.19 0.06 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 127.249 2.22 . . . . 0.0 111.095 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -87.15 136.72 32.82 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 170.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.45 147.56 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.191 0.997 . . . . 0.0 108.871 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -72.97 112.82 9.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.706 1.603 . . . . 0.0 108.566 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -41.88 -35.15 0.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.097 2.159 . . . . 0.0 113.563 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.01 81.58 0.31 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.949 0.9 . . . . 0.0 109.608 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 65.35 0.08 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.482 2.313 . . . . 0.0 110.499 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -164.28 -50.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 130.016 3.327 . . . . 0.0 104.394 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.1 t -70.61 -51.65 26.74 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.12 40.43 66.7 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.882 0.754 . . . . 0.0 114.527 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.23 167.39 20.36 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.95 148.88 15.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.393 -0.817 . . . . 0.0 108.929 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -148.7 154.05 39.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.507 0.594 . . . . 0.0 110.052 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -45.17 62.78 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -89.9 137.66 32.15 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -176.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.12 -50.12 70.03 Favored 'General case' 0 C--O 1.227 -0.111 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.546 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -52.82 -42.27 64.98 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.729 0.812 . . . . 0.0 111.304 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.03 -48.9 72.22 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.6 -36.26 83.23 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.154 -0.341 . . . . 0.0 110.098 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.25 -47.4 82.56 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 120.811 -1.18 . . . . 0.0 109.537 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.02 -46.0 75.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -57.46 -54.19 49.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.789 174.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -52.11 -32.29 34.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 118.491 -0.766 . . . . 0.0 112.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.6 p -54.06 -30.86 49.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.727 1.149 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -51.57 -45.19 62.99 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.86 -47.34 7.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 112.165 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 p -85.41 -27.78 25.54 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -172.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.44 12.39 80.11 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -173.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.04 144.27 38.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.896 1.348 . . . . 0.0 110.2 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -132.48 79.13 65.93 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 124.323 1.049 . . . . 0.0 108.189 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.82 -27.13 10.76 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 125.224 3.949 . . . . 0.0 118.484 -175.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.87 81.59 2.66 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 119.243 0.929 . . . . 0.0 111.507 -174.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.15 156.12 37.86 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 121.716 1.611 . . . . 0.0 110.518 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.2 t -89.28 -37.23 15.09 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 53.05 30.81 10.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.064 0.945 . . . . 0.0 113.357 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.82 163.67 15.57 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.471 0.653 . . . . 0.0 109.491 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -56.56 108.09 0.45 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.619 1.167 . . . . 0.0 108.769 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.71 -48.77 2.99 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.1 t -75.76 59.42 1.2 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.573 1.549 . . . . 0.0 110.298 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 59.76 5.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -66.82 162.03 22.49 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 122.046 -0.409 . . . . 0.0 110.477 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.75 105.72 0.79 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.05 149.69 24.32 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.364 1.082 . . . . 0.0 110.248 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -93.37 -1.9 55.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.065 0.946 . . . . 0.0 113.247 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 p -150.92 153.67 35.7 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.624 1.102 . . . . 0.0 111.442 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.31 -38.56 89.86 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -47.38 85.74 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -55.66 -48.45 75.0 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.68 -44.97 90.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 110.76 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 m -58.82 -56.61 20.01 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 110.316 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -60.97 -40.82 94.85 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.999 -0.438 . . . . 0.0 110.09 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -56.17 -44.3 79.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.592 -0.693 . . . . 0.0 109.856 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.3 m -56.42 -20.42 19.64 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -32.9 70.77 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.483 -0.76 . . . . 0.0 109.597 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 p -68.37 -34.13 75.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.014 0.37 . . . . 0.0 111.436 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.12 -48.81 19.27 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.3 p -69.35 -24.71 63.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.553 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.54 61.03 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.04 61.96 4.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 122.076 0.941 . . . . 0.0 111.862 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -78.63 68.41 4.6 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -99.21 -14.78 19.16 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -74.47 88.6 2.12 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.446 1.021 . . . . 0.0 110.27 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.81 125.5 29.44 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.605 1.962 . . . . 0.0 111.429 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.62 118.67 8.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -75.24 72.92 2.34 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 t -148.55 113.15 5.35 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.51 132.89 30.33 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.507 0.723 . . . . 0.0 110.679 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.27 -56.47 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.94 47.5 0.65 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.529 1.132 . . . . 0.0 109.826 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.92 51.12 1.97 Allowed 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 120.869 -1.145 . . . . 0.0 109.579 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.21 134.75 50.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.59 136.95 40.57 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -119.13 161.97 19.41 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -46.33 80.46 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.576 1.55 . . . . 0.0 112.041 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.6 p -129.68 160.34 33.65 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.164 0.506 . . . . 0.0 110.625 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.08 -50.7 70.29 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.995 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.78 78.92 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.47 -178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.53 -44.23 96.87 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.921 1.237 . . . . 0.0 109.002 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -57.16 -44.51 83.56 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.11 -49.99 75.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.105 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -51.61 -52.61 46.16 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 119.327 0.967 . . . . 0.0 109.05 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -56.13 -54.02 50.13 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.339 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.37 -44.44 65.28 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.457 0.646 . . . . 0.0 110.692 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -63.31 -57.16 11.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.13 0.972 . . . . 0.0 109.857 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.14 -35.28 66.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.952 2.101 . . . . 0.0 113.123 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -107.53 -21.11 13.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -130.39 -60.98 0.98 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 119.969 1.258 . . . . 0.0 110.526 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.24 53.17 1.71 Allowed 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.677 -0.639 . . . . 0.0 110.816 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 pt -79.58 41.08 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.591 1.956 . . . . 0.0 111.516 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm . . . . . 0 CA--C 1.532 0.26 0 C-N-CA 126.464 1.906 . . . . 0.0 112.215 177.273 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 O4'-C1'-N19 110.268 3.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.041 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.793 0 P-O3'-C3' 123.3 3.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.596 1 O4'-C1'-N19 111.926 5.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 0 O4'-C1'-N19 109.623 2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C1'-N19 110.221 3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 2 O4'-C1'-N19 111.892 5.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 112.002 5.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.915 0 P-O3'-C3' 123.563 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.535 1 O4'-C1'-N19 112.068 5.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 P-O3'-C3' 123.071 2.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.834 1 O4'-C1'-N19 111.164 4.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.362 0 O4'-C1'-N19 110.072 2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.738 1 O4'-C1'-N19 111.064 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.435 4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.696 1 O4'-C1'-N19 111.429 4.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 109.965 2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.693 0 O4'-C4'-C3' 108.22 2.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 1 O4'-C1'-N19 111.754 4.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.602 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . 0.42 ' N4 ' ' CE1' ' A' ' 58' ' ' HIS . . . . . . . . 0 C5'--C4' 1.534 2.893 1 O4'-C1'-N19 111.372 4.465 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 1 O4'-C1'-N19 112.797 6.246 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 0 O4'-C4'-C3' 108.324 2.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 P-O3'-C3' 122.64 2.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.777 1 O4'-C1'-N19 111.617 4.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.79 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.603 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 0 P-O3'-C3' 122.67 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 O4'-C1'-N19 110.21 3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -100.39 141.2 33.57 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.33 162.67 21.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 126.667 1.987 . . . . 0.0 105.771 177.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -79.23 126.06 30.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 172.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -100.1 142.54 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.342 0.657 . . . . 0.0 110.353 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.3 t -61.21 121.38 12.41 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 110.161 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -44.05 -40.97 5.18 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.663 1.985 . . . . 0.0 113.051 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.46 63.85 1.52 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 109.473 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.5 -65.17 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.075 2.95 . . . . 0.0 115.519 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.79 -36.99 2.51 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.894 1.677 . . . . 0.0 113.146 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.39 -34.88 62.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.418 1.487 . . . . 0.0 111.896 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.0 25.68 62.24 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.238 0.923 . . . . 0.0 114.304 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.61 143.11 27.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.35 145.49 24.61 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -148.32 151.24 35.02 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.33 0.652 . . . . 0.0 109.563 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -82.06 -38.05 25.51 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 109.926 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -77.42 120.09 21.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.7 -48.77 74.56 Favored 'General case' 0 N--CA 1.458 -0.046 0 O-C-N 122.089 -0.382 . . . . 0.0 110.287 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.61 -40.45 65.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.694 0.798 . . . . 0.0 111.317 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -66.46 -46.22 77.13 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 tp -60.46 -39.85 89.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.801 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -60.12 -47.51 85.62 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.605 1.093 . . . . 0.0 109.586 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.74 -37.71 71.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.241 0.616 . . . . 0.0 110.514 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.62 -59.05 3.66 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.798 -0.564 . . . . 0.0 109.487 175.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -49.39 -35.04 17.8 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 125.135 1.374 . . . . 0.0 112.016 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 p -51.56 -32.92 30.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.487 0.585 . . . . 0.0 111.474 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.49 -38.51 81.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.826 0.451 . . . . 0.0 111.494 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.53 -47.93 7.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.485 0.714 . . . . 0.0 111.234 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -85.22 -30.47 23.84 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -172.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.77 7.23 88.34 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -78.42 137.47 38.0 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.957 1.379 . . . . 0.0 110.766 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -132.03 79.94 65.88 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.669 1.188 . . . . 0.0 108.112 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.33 -20.77 12.04 Favored 'Trans proline' 0 C--N 1.347 0.486 1 C-N-CA 125.356 4.037 . . . . 0.0 118.278 -174.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.37 79.11 2.08 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 119.471 1.032 . . . . 0.0 110.356 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.23 148.76 31.05 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.404 2.069 . . . . 0.0 110.789 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.8 t -90.49 88.73 7.27 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -73.25 47.24 0.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -94.36 152.16 18.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.277 1.031 . . . . 0.0 108.833 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -62.9 130.53 45.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -57.61 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.8 t -77.3 52.12 0.9 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.445 1.098 . . . . 0.0 110.589 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.23 64.84 5.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.987 0.915 . . . . 0.0 109.958 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -74.05 166.42 23.42 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.039 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.99 109.51 0.99 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 108.248 -1.941 . . . . 0.0 108.248 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -112.75 158.64 19.84 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.878 0.839 . . . . 0.0 109.514 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 p -99.46 -9.99 22.72 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.6 p -148.19 157.59 43.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.211 0.914 . . . . 0.0 109.81 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.09 -41.13 82.82 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.42 ' CE1' ' N4 ' ' F' ' 22' ' ' ' DC' . 9.2 t-80 -60.02 -55.02 39.16 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.158 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -53.25 -43.31 67.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.625 0.648 . . . . 0.0 109.385 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.89 -44.95 94.71 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.933 -0.479 . . . . 0.0 111.246 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.8 m -62.11 -49.63 75.14 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.359 -0.838 . . . . 0.0 110.66 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -40.43 97.4 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -55.59 -44.55 77.05 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.419 -0.801 . . . . 0.0 109.44 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 m -57.7 -15.56 8.22 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.11 -34.3 70.06 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.76 1.164 . . . . 0.0 109.081 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -63.16 -31.77 73.0 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.284 0.234 . . . . 0.0 111.343 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -83.81 -52.77 6.11 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.962 0.905 . . . . 0.0 109.996 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.4 p -65.7 -30.12 70.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.178 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 24.97 66.21 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.723 0.678 . . . . 0.0 111.668 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.38 55.1 1.84 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.086 0.945 . . . . 0.0 110.775 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -78.78 67.6 4.55 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.206 2.203 . . . . 0.0 105.744 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -107.51 -6.51 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -75.33 87.06 2.52 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.033 0.833 . . . . 0.0 108.983 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.9 m -82.12 123.87 29.35 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 126.464 1.906 . . . . 0.0 110.504 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.0 t -61.96 115.34 3.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -74.57 72.08 1.9 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 109.976 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -148.19 116.95 6.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.76 135.06 30.06 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.456 0.703 . . . . 0.0 110.483 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.54 -59.16 4.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.34 48.02 0.73 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.67 0.788 . . . . 0.0 109.996 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.08 53.27 2.4 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 120.928 -1.108 . . . . 0.0 108.812 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.5 mt -71.38 129.66 39.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -94.59 131.2 40.6 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.42 1.088 . . . . 0.0 109.16 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -118.68 157.27 27.77 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 111.184 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -69.8 -55.25 10.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.589 1.155 . . . . 0.0 111.381 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.3 p -115.13 152.97 31.62 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.235 0.614 . . . . 0.0 109.907 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -57.34 -40.56 78.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.01 89.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.624 -0.672 . . . . 0.0 111.249 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.404 1.002 . . . . 0.0 108.984 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.7 ttp -55.08 -46.4 75.45 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -61.54 -47.86 83.62 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.787 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -53.34 -49.35 67.29 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 119.764 1.165 . . . . 0.0 109.393 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -56.33 -54.57 43.85 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -52.55 -46.06 66.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.183 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -57.96 -67.44 0.34 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.347 1.059 . . . . 0.0 108.88 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -49.57 -37.26 26.68 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.931 1.692 . . . . 0.0 113.574 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -98.44 -68.56 0.8 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.774 0.829 . . . . 0.0 112.484 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -78.0 -37.5 46.99 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -31.83 63.95 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.062 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.6 mm -74.76 -52.31 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.48 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.162 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.555 4.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 0 P-O3'-C3' 123.048 2.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 1 O4'-C1'-N19 112.349 5.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.654 0 O4'-C1'-N19 109.973 2.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 0 P-O3'-C3' 122.464 2.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.005 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.684 1 O4'-C1'-N19 112.267 5.584 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 0 P-O3'-C3' 122.971 2.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.632 1 O4'-C1'-N19 112.545 5.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 P-O3'-C3' 123.087 2.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.809 0 O4'-C1'-C2' 102.756 -3.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.523 0 O4'-C1'-N19 110.169 2.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 P-O3'-C3' 122.37 2.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.183 0 O4'-C1'-N19 110.097 2.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.688 0 O4'-C1'-N19 110.167 2.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 0 P-O3'-C3' 123.177 2.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O4'-C1'-C2' 101.885 -3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 1 O4'-C1'-N19 113.122 6.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.111 2.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 1 O4'-C1'-N19 112.514 5.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.867 1 O4'-C1'-N19 112.038 5.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C4'-C3' 108.188 2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.595 0 P-O3'-C3' 122.801 2.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.883 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 O4'-C1'-N19 110.321 3.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.975 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C4'-C3' 108.0 2.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 O4'-C1'-N19 110.238 3.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.8 mtp . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 119.485 -0.293 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -51.68 123.73 10.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.636 1.175 . . . . 0.0 112.127 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.27 124.46 29.35 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.494 0.318 . . . . 0.0 110.483 176.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -79.33 142.37 36.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 168.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.41 142.89 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.574 0.749 . . . . 0.0 109.687 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.41 120.33 10.27 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.617 1.167 . . . . 0.0 110.138 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.5 -42.67 3.39 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.811 2.045 . . . . 0.0 112.766 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -75.5 63.87 1.55 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.624 1.169 . . . . 0.0 109.31 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.42 -64.09 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 129.082 2.953 . . . . 0.0 115.452 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.05 -36.75 2.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.766 1.626 . . . . 0.0 113.201 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.5 t -55.02 -34.1 63.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.304 1.442 . . . . 0.0 111.866 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 22.32 62.44 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.496 1.046 . . . . 0.0 114.909 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.85 141.92 28.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.54 1.17 . . . . 0.0 108.907 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.45 144.98 21.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.732 -0.652 . . . . 0.0 109.382 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -154.42 148.5 25.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.504 0.593 . . . . 0.0 110.08 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.81 -53.01 20.22 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -72.95 113.16 9.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.516 0.674 . . . . 0.0 110.675 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -35.66 -56.01 0.68 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 127.372 2.269 . . . . 0.0 111.686 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -54.29 -37.64 65.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.428 1.091 . . . . 0.0 112.983 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -68.2 -46.12 71.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -38.63 91.84 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -59.72 -48.36 81.99 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.82 -1.175 . . . . 0.0 109.891 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.41 75.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -59.73 -54.76 42.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.949 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 mp -48.99 -41.66 35.15 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.51 -0.744 . . . . 0.0 112.347 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.8 p -50.82 -32.61 20.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.712 0.687 . . . . 0.0 111.875 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -55.39 -40.87 71.91 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.001 0.521 . . . . 0.0 110.949 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.97 -51.37 5.23 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.988 0.915 . . . . 0.0 111.618 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 p -77.68 -30.17 51.8 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.294 1.438 . . . . 0.0 114.138 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.87 9.84 79.88 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -78.04 144.65 36.43 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.898 1.349 . . . . 0.0 110.45 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -132.53 77.33 70.03 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 0.0 109.399 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.4 -25.1 9.74 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 125.131 3.887 . . . . 0.0 118.5 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.51 79.17 2.21 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 119.748 1.158 . . . . 0.0 112.391 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.93 148.34 45.36 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 121.962 1.775 . . . . 0.0 109.818 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.01 -6.64 48.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.976 0.91 . . . . 0.0 113.413 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 72.04 -46.72 0.65 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.354 1.862 . . . . 0.0 113.884 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -48.93 118.84 2.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.286 1.034 . . . . 0.0 111.734 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -73.06 65.54 0.78 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.708 1.603 . . . . 0.0 110.097 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.18 -68.73 0.1 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.3 t -79.76 55.34 2.02 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.58 62.14 4.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.473 -0.767 . . . . 0.0 110.484 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -71.57 154.71 41.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.39 102.22 0.86 Allowed Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.537 -2.225 . . . . 0.0 107.537 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.99 147.17 24.77 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.083 0.941 . . . . 0.0 109.854 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -90.26 -9.6 47.37 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.5 p -147.05 154.18 40.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.941 0.791 . . . . 0.0 111.064 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.02 -33.23 74.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.595 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -63.81 -46.32 85.67 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.491 -0.755 . . . . 0.0 110.297 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.13 -47.9 77.26 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 tp -54.75 -45.67 74.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.363 0.665 . . . . 0.0 110.075 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.2 m -58.54 -53.71 55.28 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.991 0.516 . . . . 0.0 110.223 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -63.92 -39.31 93.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.428 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -56.16 -43.5 78.38 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.281 -0.887 . . . . 0.0 109.638 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 m -55.3 -19.8 9.56 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.3 -34.43 68.69 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.205 0.911 . . . . 0.0 109.586 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 p -68.3 -34.96 77.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.948 0.499 . . . . 0.0 111.533 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -76.82 -46.88 23.17 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.9 p -67.79 -27.34 66.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.36 0.264 . . . . 0.0 110.837 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.62 30.66 47.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -79.93 50.28 1.18 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.91 0.862 . . . . 0.0 111.604 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -81.29 66.86 7.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -124.48 6.23 8.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -76.78 86.44 3.38 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -77.37 122.44 25.15 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.551 1.94 . . . . 0.0 111.044 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.8 t -61.91 117.71 6.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.48 73.76 1.92 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 t -148.94 113.61 5.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.15 131.64 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.836 0.854 . . . . 0.0 110.902 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.52 -55.88 4.87 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.61 44.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.974 1.309 . . . . 0.0 109.991 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -83.61 53.39 2.51 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.965 -1.084 . . . . 0.0 109.605 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.26 132.45 45.73 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -98.75 116.61 31.37 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.432 1.093 . . . . 0.0 109.879 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -100.83 161.96 13.23 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.58 0.752 . . . . 0.0 111.074 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -70.21 -55.73 8.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.043 1.337 . . . . 0.0 110.84 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.5 p -109.84 152.97 25.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 110.471 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -55.28 -45.68 76.16 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.98 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.397 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.28 -44.0 95.72 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.898 1.226 . . . . 0.0 108.778 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -58.01 -46.12 85.78 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.53 -51.09 71.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.593 0.633 . . . . 0.0 110.087 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -52.92 -53.8 44.16 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.645 0.778 . . . . 0.0 109.441 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -55.28 -53.7 52.73 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.105 0.411 . . . . 0.0 110.265 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -53.25 -46.61 69.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.689 0.757 . . . . 0.0 109.662 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -59.85 -62.97 1.48 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.164 0.586 . . . . 0.0 109.757 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -45.9 -46.75 16.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.293 2.237 . . . . 0.0 112.309 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -94.25 -25.04 17.21 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -122.75 -30.05 3.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.059 1.3 . . . . 0.0 113.598 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -85.32 -66.74 0.86 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.4 pt -90.58 6.12 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 123.302 0.641 . . . . 0.0 112.427 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm . . . . . 0 CA--C 1.532 0.261 0 C-N-CA 123.77 0.828 . . . . 0.0 111.548 178.532 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-N19 110.531 3.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.224 0 O4'-C1'-N19 110.294 3.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.099 4.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 P-O3'-C3' 122.944 2.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.528 1 O4'-C1'-N19 112.235 5.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 0 O4'-C1'-N19 110.904 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.655 0 N19-C1'-C2' 109.25 -3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 112.184 5.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.496 4.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 0 O4'-C1'-C2' 102.774 -3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.445 1 O4'-C1'-N19 112.591 5.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 P-O3'-C3' 122.596 2.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.764 0 O4'-C1'-C2' 102.847 -2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 0 C1'-O4'-C4' 105.397 -3.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 O4'-C1'-N19 110.621 3.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.741 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 C3'-C2'-C1' 99.382 -2.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O3'-C3' 122.774 2.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.794 1 O4'-C1'-C2' 101.372 -4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.872 1 O4'-C1'-N19 112.958 6.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.667 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.85 1 O4'-C1'-N19 113.655 7.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.607 1 O4'-C1'-N19 113.653 7.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.085 0 O4'-C4'-C3' 108.266 2.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 P-O3'-C3' 122.829 2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 O4'-C1'-C2' 102.931 -2.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 1 O4'-C1'-N19 111.583 4.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C4'-C3' 108.118 2.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 121.516 0.674 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -76.93 112.2 13.28 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -59.65 119.3 7.34 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -77.86 136.59 38.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.1 mt -106.68 144.23 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.958 0.903 . . . . 0.0 110.289 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.63 119.49 10.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.821 1.249 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.44 -41.06 5.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.745 2.018 . . . . 0.0 112.349 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -75.37 66.11 1.76 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.34 1.056 . . . . 0.0 108.822 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -18.36 -61.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 129.026 2.93 . . . . 0.0 115.077 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.09 -38.36 2.34 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.809 1.644 . . . . 0.0 113.02 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -56.05 -35.87 67.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.862 1.265 . . . . 0.0 112.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.25 27.38 60.26 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.18 0.895 . . . . 0.0 113.982 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.05 142.68 27.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.52 145.95 24.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 118.418 -0.801 . . . . 0.0 108.889 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -149.01 149.25 30.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.415 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -53.47 -50.54 65.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.286 1.434 . . . . 0.0 114.111 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -95.79 143.47 26.99 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.53 -49.13 73.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.322 175.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.0 p-90 -54.16 -40.88 67.88 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.286 0.494 . . . . 0.0 111.501 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -67.05 -48.37 68.5 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.06 -44.1 93.45 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -47.01 77.63 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.269 -0.894 . . . . 0.0 110.125 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.94 71.79 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -49.73 -49.53 47.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.809 0.731 . . . . 0.0 110.625 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -54.05 -22.37 10.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.672 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 p -54.84 -33.15 61.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.695 1.134 . . . . 0.0 110.531 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -53.12 -45.73 68.43 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 123.238 0.615 . . . . 0.0 111.611 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -90.17 -46.1 8.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.459 0.703 . . . . 0.0 111.921 -174.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -83.95 -26.97 28.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -174.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.99 9.92 80.36 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -78.38 156.82 29.29 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.525 1.163 . . . . 0.0 111.671 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -134.18 76.56 63.13 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.81 -24.56 3.12 Favored 'Trans proline' 0 CA--C 1.534 0.485 1 C-N-CA 126.091 4.527 . . . . 0.0 119.012 -173.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -113.65 84.99 8.7 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 111.23 -175.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.01 142.61 28.04 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.279 1.986 . . . . 0.0 111.261 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -90.44 93.01 9.13 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -76.01 50.82 0.62 Allowed 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.474 -0.766 . . . . 0.0 112.391 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.08 159.86 14.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.44 1.496 . . . . 0.0 109.917 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.48 123.27 20.35 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.28 -52.92 3.06 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.228 0.442 . . . . 0.0 112.269 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.46 55.71 1.03 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.811 1.244 . . . . 0.0 110.62 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.97 64.46 4.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.611 0.765 . . . . 0.0 109.614 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -73.0 164.29 26.92 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.672 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.03 107.81 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.39 -2.684 . . . . 0.0 106.39 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -101.66 147.63 26.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.092 0.946 . . . . 0.0 110.115 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -85.66 -17.87 34.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.19 0.996 . . . . 0.0 112.962 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.422 ' HG ' ' CG ' ' A' ' 59' ' ' HIS . 26.0 p -142.02 155.46 45.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.293 0.951 . . . . 0.0 112.04 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.18 -39.89 88.05 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.369 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -43.23 94.85 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.912 -0.566 . . . . 0.0 110.276 178.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CG ' ' HG ' ' A' ' 56' ' ' SER . 61.6 m170 -55.64 -46.63 77.43 Favored 'General case' 0 C--N 1.344 0.327 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.34 -45.75 92.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.139 0.495 . . . . 0.0 110.65 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.9 m -57.49 -56.03 27.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 110.186 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -63.27 -38.89 92.94 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.865 -0.522 . . . . 0.0 110.166 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -55.77 -41.37 73.93 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.377 -0.827 . . . . 0.0 109.546 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -56.17 -19.24 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.98 -33.38 70.6 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.271 -0.893 . . . . 0.0 109.463 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -67.64 -34.64 77.37 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.181 0.446 . . . . 0.0 111.367 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -77.31 -50.59 12.5 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.1 p -67.64 -28.58 67.84 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.269 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.16 67.02 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.663 1.125 . . . . 0.0 111.318 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -79.77 50.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.295 1.047 . . . . 0.0 112.353 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -78.79 63.44 3.53 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.329 2.251 . . . . 0.0 107.63 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -99.25 0.57 43.42 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -75.87 83.7 2.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.963 1.256 . . . . 0.0 109.79 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -79.66 119.42 22.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 127.511 2.324 . . . . 0.0 110.51 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -59.93 114.98 3.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.98 72.65 2.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -144.44 116.29 8.27 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.49 129.35 18.89 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.995 0.918 . . . . 0.0 110.898 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.56 -54.68 4.63 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.7 t -77.54 48.53 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.713 1.205 . . . . 0.0 109.969 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.64 52.86 2.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 120.951 -1.093 . . . . 0.0 109.574 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.31 131.73 45.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.21 125.86 42.02 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 124.893 1.277 . . . . 0.0 108.953 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -114.8 159.41 20.64 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.876 0.87 . . . . 0.0 111.432 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -69.24 -39.98 78.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.177 1.391 . . . . 0.0 112.409 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -132.76 156.84 46.35 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.259 0.552 . . . . 0.0 110.582 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.01 -42.96 91.4 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.585 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.562 -0.711 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.6 -47.05 87.11 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.905 0.775 . . . . 0.0 108.977 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.3 ttp -55.3 -48.71 73.7 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.022 0.529 . . . . 0.0 110.369 176.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -59.63 -50.96 71.83 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.875 0.87 . . . . 0.0 110.299 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -55.35 -46.65 76.41 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.764 0.711 . . . . 0.0 109.801 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -57.89 -55.1 39.28 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.238 0.472 . . . . 0.0 109.853 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -51.65 -44.58 63.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.742 0.782 . . . . 0.0 109.403 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -60.76 -61.78 2.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.825 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -46.75 -46.91 20.74 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.996 1.318 . . . . 0.0 112.557 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -95.33 -23.25 17.28 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -125.35 -23.56 4.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.809 1.186 . . . . 0.0 113.713 -173.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -91.27 -65.45 1.01 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.554 1.07 . . . . 0.0 108.372 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.9 pt -91.45 -7.5 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.5 mptt . . . . . 0 CA--C 1.533 0.301 0 C-N-CA 123.925 0.89 . . . . 0.0 110.188 -179.36 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.478 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.714 4.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.51 0 P-O3'-C3' 123.911 3.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.633 1 O4'-C1'-N19 111.454 4.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.644 0 O4'-C1'-N19 110.897 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 N19-C1'-C2' 109.257 -3.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.31 2 O4'-C1'-N19 113.635 7.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 C5'-C4'-C3' 110.948 -2.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.099 0 O4'-C1'-C2' 103.316 -2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.34 0 O4'-C1'-N19 110.302 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 0 O4'-C1'-N19 110.219 3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.01 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.488 0 P-O3'-C3' 122.856 2.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.698 0 O4'-C1'-N19 110.294 3.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.586 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 O4'-C1'-N19 110.416 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 P-O3'-C3' 122.846 2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.833 1 O4'-C1'-N19 112.196 5.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O4'-C1'-N19 110.106 2.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 2 O4'-C1'-N19 116.432 10.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.856 1 O4'-C1'-N19 113.332 6.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 C5'-C4'-C3' 110.817 -2.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.082 0 P-O3'-C3' 122.61 2.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.734 0 P-O3'-C3' 123.308 3.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.59 0 O4'-C1'-C2' 102.433 -3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.017 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.532 0 O4'-C4'-C3' 108.113 2.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 0 O4'-C1'-N19 110.601 3.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 ptm . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -58.06 140.92 51.56 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -72.81 100.1 2.8 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -76.64 130.16 37.41 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.8 mt -88.9 144.62 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.613 0.765 . . . . 0.0 112.627 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.89 127.88 34.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.351 1.86 . . . . 0.0 110.44 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.17 -43.25 9.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.137 1.775 . . . . 0.0 112.422 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -75.89 64.74 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.907 0.883 . . . . 0.0 109.073 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.23 -62.47 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.797 2.839 . . . . 0.0 115.336 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.13 -37.56 2.09 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.862 1.665 . . . . 0.0 113.129 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.01 -35.76 59.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.448 1.499 . . . . 0.0 112.038 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.62 23.22 62.67 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.898 0.761 . . . . 0.0 114.1 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.09 144.27 26.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.73 144.52 24.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.333 -0.842 . . . . 0.0 109.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -146.06 156.06 43.21 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.889 0.768 . . . . 0.0 112.118 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -73.12 -29.99 63.3 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -173.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -114.62 142.51 46.36 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.623 0.769 . . . . 0.0 110.364 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.37 -47.76 80.8 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.614 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.52 -41.48 66.42 Favored 'General case' 0 C--N 1.341 0.236 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -66.58 -46.74 74.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.98 -40.05 79.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.52 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -61.7 -45.73 92.72 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.699 0.682 . . . . 0.0 109.83 177.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.98 68.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.435 0.694 . . . . 0.0 110.228 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -69.03 -59.28 3.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.3 mt -48.96 -30.82 6.43 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 125.009 1.323 . . . . 0.0 112.751 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 p -49.79 -34.86 20.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.711 0.687 . . . . 0.0 111.108 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.1 -35.79 77.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.786 0.434 . . . . 0.0 111.941 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -90.22 -48.18 7.32 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.165 0.586 . . . . 0.0 111.151 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -87.2 -28.14 22.58 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 9.44 86.98 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -172.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -77.54 139.98 39.66 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.861 1.331 . . . . 0.0 111.405 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -135.53 80.08 45.93 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.74 -25.95 4.12 Favored 'Trans proline' 0 C--N 1.348 0.507 1 C-N-CA 125.853 4.369 . . . . 0.0 118.76 -174.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.32 80.34 2.5 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 119.182 0.901 . . . . 0.0 110.634 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.91 150.58 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.54 2.16 . . . . 0.0 111.61 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.8 t -91.18 82.94 5.49 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -73.28 51.54 0.33 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -95.23 158.38 15.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.048 1.339 . . . . 0.0 108.731 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -64.41 129.16 38.81 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.03 -57.14 3.15 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.943 -0.473 . . . . 0.0 112.318 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.6 t -77.27 51.43 0.85 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.263 1.025 . . . . 0.0 110.933 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.32 66.29 4.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.896 0.879 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -74.75 167.45 21.79 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.145 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.45 113.0 1.28 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -115.0 150.2 36.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.056 0.928 . . . . 0.0 109.789 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -87.29 -12.38 46.74 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -146.46 160.27 42.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.18 0.9 . . . . 0.0 109.466 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.89 -42.65 99.85 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -67.67 -39.46 84.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.866 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -58.22 -47.12 84.48 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.07 -42.45 90.39 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.407 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 m -61.04 -52.8 63.45 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.592 -0.693 . . . . 0.0 111.039 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -55.77 -39.53 71.35 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.723 0.692 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.23 -49.95 73.7 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.4 m -51.21 -31.38 20.24 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.591 0.756 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.5 mt -50.49 -31.98 16.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.56 0.618 . . . . 0.0 111.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.5 p -64.72 -29.86 70.86 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.162 -0.336 . . . . 0.0 111.715 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.24 -48.79 15.0 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 123.915 0.886 . . . . 0.0 109.453 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.1 p -71.44 -24.83 62.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.379 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 33.04 44.71 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.11 56.87 2.53 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 122.011 0.91 . . . . 0.0 111.217 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -78.99 77.31 5.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -122.99 -4.27 8.54 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.83 86.42 2.81 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.99 1.268 . . . . 0.0 108.351 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.9 m -77.27 118.53 19.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.065 1.746 . . . . 0.0 111.356 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.49 117.4 4.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -75.22 70.95 2.2 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.867 0.467 . . . . 0.0 110.156 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -147.17 118.54 7.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.74 139.31 26.83 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.95 0.5 . . . . 0.0 109.794 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.79 -61.05 4.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.24 49.34 0.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.646 0.778 . . . . 0.0 110.233 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -83.07 51.71 2.01 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 120.993 -1.067 . . . . 0.0 108.739 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.78 129.85 39.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -98.68 123.04 42.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.92 160.92 14.4 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.041 0.936 . . . . 0.0 110.613 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -70.41 -38.44 74.61 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.671 1.188 . . . . 0.0 112.217 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.0 p -131.17 156.42 45.34 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.309 0.504 . . . . 0.0 110.2 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -57.05 -45.71 82.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.59 87.87 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.762 -0.637 . . . . 0.0 111.535 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.8 -44.88 96.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.597 1.089 . . . . 0.0 108.972 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.1 ttp -56.47 -47.98 78.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.975 0.51 . . . . 0.0 109.864 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -58.42 -50.19 74.6 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.346 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.8 -48.86 72.23 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.328 0.967 . . . . 0.0 109.641 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -53.36 -52.15 60.17 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -56.7 -46.8 81.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.167 0.508 . . . . 0.0 111.149 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.04 -37.33 76.74 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.577 1.551 . . . . 0.0 110.634 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -79.2 -38.1 36.62 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.059 0.944 . . . . 0.0 111.456 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -97.92 -74.28 0.58 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -174.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.28 -28.98 61.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.008 0.523 . . . . 0.0 112.374 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -70.45 -31.84 69.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mt -98.36 35.73 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt . . . . . 0 C--N 1.341 0.198 0 C-N-CA 124.472 1.109 . . . . 0.0 110.814 -177.817 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C4'-C3' 108.114 2.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 0 O4'-C1'-N19 110.335 3.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 1 O4'-C1'-N19 111.639 4.798 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 P-O3'-C3' 123.556 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 1 O4'-C1'-N19 112.179 5.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.576 0 O4'-C1'-N19 110.973 3.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 0 N19-C1'-C2' 108.606 -3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.466 2 O4'-C1'-N19 112.648 6.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 112.043 5.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 0 P-O3'-C3' 123.417 3.097 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.477 1 O4'-C1'-N19 112.493 5.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 P-O3'-C3' 123.124 2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.729 0 O4'-C1'-C2' 102.997 -2.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.471 0 C1'-O4'-C4' 105.6 -2.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 0 O4'-C1'-N19 110.558 3.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 1 O4'-C1'-N19 111.66 4.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.558 0 O4'-C1'-N19 110.192 2.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.866 0 P-O3'-C3' 122.817 2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 1 O4'-C1'-C2' 101.571 -4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 1 O4'-C1'-N19 112.931 6.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.505 0 O4'-C1'-N19 110.443 3.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.134 0 O4'-C1'-N19 110.344 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 1 O4'-C1'-N19 113.637 7.296 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 0 O4'-C4'-C3' 108.352 2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.693 0 O4'-C4'-C3' 108.008 2.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.829 1 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.701 0 O4'-C1'-C2' 102.754 -3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.058 0 O4'-C1'-N19 110.917 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 0 C4'-C3'-C2' 100.825 -2.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.494 0 P-O3'-C3' 123.482 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.96 0.41 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -75.63 142.19 42.67 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -134.23 148.29 50.82 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -80.28 133.54 35.98 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 104.391 -2.448 . . . . 0.0 104.391 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 143.98 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.886 0.875 . . . . 0.0 109.963 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.51 117.24 7.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.716 1.206 . . . . 0.0 110.197 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -43.2 -40.32 3.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 126.923 2.089 . . . . 0.0 112.905 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.71 65.33 1.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.482 1.113 . . . . 0.0 109.336 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.89 -63.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 129.009 2.923 . . . . 0.0 115.241 -177.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.81 -37.86 2.98 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.722 1.609 . . . . 0.0 113.059 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.6 t -56.23 -34.65 66.54 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.017 1.327 . . . . 0.0 112.031 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.7 27.17 61.16 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.405 1.002 . . . . 0.0 114.193 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.85 142.98 27.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 118.103 0.952 . . . . 0.0 108.918 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.78 148.94 25.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -147.29 158.67 44.05 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.005 0.522 . . . . 0.0 110.546 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -75.02 -53.12 9.47 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 124.042 0.937 . . . . 0.0 111.559 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -82.19 129.38 34.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.795 -0.565 . . . . 0.0 110.758 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -49.37 -48.8 46.54 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.403 0.681 . . . . 0.0 111.296 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -55.62 -36.57 67.11 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.103 0.961 . . . . 0.0 112.562 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -66.86 -48.24 69.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.51 -35.03 79.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.021 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.07 -50.44 73.71 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 120.705 -1.247 . . . . 0.0 109.359 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.79 79.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -57.81 -54.26 48.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.185 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.01 -36.57 63.13 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.736 -0.603 . . . . 0.0 111.964 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.5 p -54.38 -31.33 54.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.217 0.917 . . . . 0.0 111.615 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.01 -39.5 74.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.31 0.504 . . . . 0.0 111.066 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -90.75 -49.88 6.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.447 0.699 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -80.28 -30.62 38.32 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -172.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.13 8.1 82.8 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -172.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.79 152.61 31.3 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.824 1.312 . . . . 0.0 110.684 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -131.55 77.28 73.59 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.477 1.111 . . . . 0.0 108.278 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -50.99 -21.03 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.388 1 C-N-CA 125.588 4.192 . . . . 0.0 118.694 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -112.1 79.03 2.59 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 119.778 1.172 . . . . 0.0 111.133 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.29 139.18 28.75 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.669 2.246 . . . . 0.0 110.019 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.81 -20.85 48.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.958 0.903 . . . . 0.0 111.381 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 66.38 -38.82 0.31 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.922 2.089 . . . . 0.0 116.337 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -42.96 137.46 2.37 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.266 1.026 . . . . 0.0 112.773 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -55.2 130.9 43.92 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.6 -61.74 3.58 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.11 47.51 0.67 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.507 1.123 . . . . 0.0 110.432 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -84.71 60.21 6.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.99 155.74 35.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.252 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.28 100.53 0.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 106.764 -2.535 . . . . 0.0 106.764 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -96.55 148.77 22.49 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.274 1.037 . . . . 0.0 109.97 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -96.18 -7.57 35.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.397 1.079 . . . . 0.0 112.194 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 p -147.08 139.06 24.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.599 0.636 . . . . 0.0 111.841 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.49 -45.82 73.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.48 1.112 . . . . 0.0 110.334 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -56.27 -44.35 79.68 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -63.14 -47.44 82.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.6 -45.6 77.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.464 0.649 . . . . 0.0 110.267 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -56.85 -57.48 12.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.505 0.722 . . . . 0.0 110.167 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -67.64 -32.69 73.55 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.126 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.52 -42.97 71.48 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.175 -0.953 . . . . 0.0 108.806 174.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.5 m -53.81 -23.98 14.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.97 -33.85 58.1 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.433 1.015 . . . . 0.0 110.499 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.9 p -65.14 -30.73 71.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.373 0.269 . . . . 0.0 110.965 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.74 -49.05 12.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 124.348 1.059 . . . . 0.0 109.551 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 p -70.23 -23.72 62.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.483 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.84 55.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.01 46.26 0.79 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.758 -0.848 . . . . 0.0 111.936 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.82 66.62 4.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.968 2.107 . . . . 0.0 108.46 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -112.57 1.83 15.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -173.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.13 88.11 2.44 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 120.022 1.283 . . . . 0.0 109.574 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.5 m -77.02 119.62 20.99 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 126.313 1.845 . . . . 0.0 111.949 -173.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.69 122.16 12.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -75.38 68.85 2.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.062 0.945 . . . . 0.0 109.819 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -148.05 116.75 6.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.85 135.69 41.58 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.294 0.638 . . . . 0.0 110.151 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.13 -58.08 4.84 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.4 t -78.21 49.94 0.87 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.749 0.819 . . . . 0.0 109.923 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -83.19 52.13 2.13 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.925 -1.109 . . . . 0.0 108.864 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.52 129.76 40.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -101.39 121.01 41.15 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -105.16 166.74 10.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.36 1.064 . . . . 0.0 111.925 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -67.59 -54.81 16.67 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.377 1.871 . . . . 0.0 112.945 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.8 p -126.47 155.83 41.64 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.37 -40.24 61.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.116 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.71 -27.72 69.46 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.172 0.896 . . . . 0.0 112.807 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -67.0 -46.99 72.86 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.99 -45.73 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.02 0.928 . . . . 0.0 109.462 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.03 -50.55 72.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.494 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -50.76 -52.97 35.6 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 119.321 0.964 . . . . 0.0 109.061 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -53.59 -54.01 43.6 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.626 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.4 -49.16 73.09 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.327 0.512 . . . . 0.0 110.963 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -54.63 -44.63 73.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.774 1.629 . . . . 0.0 110.27 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -74.87 -32.06 61.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 112.299 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -104.86 -78.13 0.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -174.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -75.79 -24.97 56.01 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 124.028 0.931 . . . . 0.0 113.235 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -72.35 -29.69 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.5 mt -81.95 -56.12 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.216 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.67 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.127 0 P-O3'-C3' 122.725 2.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 1 O4'-C1'-N19 111.484 4.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 P-O3'-C3' 123.183 2.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.556 1 O4'-C1'-N19 112.054 5.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.137 2.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.065 2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 0 O4'-C1'-N19 110.983 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.313 0 O4'-C1'-N19 110.872 3.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.685 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.126 0 O4'-C1'-N19 109.71 2.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 1 O4'-C1'-N19 111.829 5.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 O4'-C1'-N19 110.384 3.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 0 O4'-C1'-N19 110.922 3.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.689 0 O4'-C1'-C2' 102.899 -2.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 1 O4'-C1'-N19 112.554 5.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.309 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C1'-C2' 102.712 -3.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-N19 113.487 7.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 109.861 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 1 O4'-C1'-N19 113.183 6.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 1 O4'-C1'-N19 112.848 6.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C4'-C3' 108.247 2.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.738 0 P-O3'-C3' 122.635 2.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.996 1 O4'-C1'-N19 111.737 4.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 O4'-C1'-C2' 103.188 -2.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.903 1 O4'-C1'-N19 111.662 4.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C4'-C3' 108.116 2.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.673 0 O4'-C1'-N19 110.143 2.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -65.22 112.95 3.67 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -53.31 112.09 0.82 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -78.63 130.94 36.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.34 141.61 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.2 118.75 7.25 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.087 1.755 . . . . 0.0 110.775 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -50.05 -33.75 19.33 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.212 1.805 . . . . 0.0 113.197 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -70.79 76.18 0.62 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.723 0.809 . . . . 0.0 109.011 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.4 69.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.966 2.507 . . . . 0.0 113.58 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -172.28 -50.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 130.143 3.377 . . . . 0.0 104.862 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -83.32 72.42 10.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.73 53.89 0.22 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 127.132 2.301 . . . . 0.0 113.774 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.59 152.4 20.3 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.623 1.169 . . . . 0.0 108.057 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.94 144.52 22.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.319 -0.848 . . . . 0.0 108.979 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -148.21 148.68 30.79 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -34.96 -51.68 0.52 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.818 2.447 . . . . 0.0 116.717 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -123.04 155.59 36.57 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -54.53 -48.14 72.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.675 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 -58.71 -39.52 81.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.596 0.758 . . . . 0.0 110.065 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -48.73 76.38 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.34 -42.74 87.54 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.017 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.56 -45.7 84.83 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 119.322 0.965 . . . . 0.0 110.215 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.24 76.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.298 -0.251 . . . . 0.0 110.685 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -65.95 -55.71 15.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.661 174.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.39 -34.43 34.38 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 124.34 1.056 . . . . 0.0 112.267 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -52.26 -30.33 27.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.733 0.697 . . . . 0.0 111.282 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.53 -35.68 72.67 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.981 0.512 . . . . 0.0 110.629 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -90.36 -51.13 5.58 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.302 1.041 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 p -87.31 -24.46 24.3 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.13 10.09 77.59 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.88 143.5 37.7 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.664 1.232 . . . . 0.0 109.75 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -131.18 77.95 73.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -46.5 -27.29 4.96 Favored 'Trans proline' 0 C--N 1.345 0.393 1 C-N-CA 125.421 4.08 . . . . 0.0 119.009 -174.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.1 83.15 3.61 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 119.685 1.13 . . . . 0.0 111.715 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.78 141.61 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.186 1.924 . . . . 0.0 110.918 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.55 85.83 7.15 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -75.04 55.84 0.74 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.374 -0.829 . . . . 0.0 111.774 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -94.3 170.91 9.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.098 1.759 . . . . 0.0 109.854 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.51 113.67 7.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 -46.82 2.04 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.408 0.527 . . . . 0.0 113.571 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.8 t -75.66 57.78 1.02 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.788 1.235 . . . . 0.0 111.012 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -78.84 65.53 4.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.77 0.828 . . . . 0.0 110.496 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -73.36 162.51 29.25 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.27 104.59 0.82 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.844 -2.502 . . . . 0.0 106.844 176.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.74 140.92 34.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.202 1.001 . . . . 0.0 109.094 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -81.94 -12.1 58.55 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.694 -0.628 . . . . 0.0 112.487 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 p -148.06 155.7 41.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.385 0.993 . . . . 0.0 112.126 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.893 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -60.93 -46.0 92.42 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.719 -0.613 . . . . 0.0 110.348 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -56.81 -48.42 78.01 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.6 -42.35 74.7 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.27 0.628 . . . . 0.0 110.159 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.9 m -61.44 -54.67 40.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.119 0.568 . . . . 0.0 109.932 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -62.39 -38.25 88.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.004 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -58.36 -45.37 88.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.541 -0.724 . . . . 0.0 110.557 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 p -55.07 -22.02 14.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.73 -33.62 68.63 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.733 -0.604 . . . . 0.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 p -69.62 -33.15 72.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.087 0.403 . . . . 0.0 111.553 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -76.94 -50.32 13.53 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.4 p -68.96 -29.31 67.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.947 0.499 . . . . 0.0 111.515 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.29 23.07 59.48 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.538 1.066 . . . . 0.0 110.548 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.89 51.61 1.14 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.059 0.929 . . . . 0.0 112.215 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -79.37 62.71 3.79 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.658 1.983 . . . . 0.0 107.843 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -102.38 -1.47 30.8 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -172.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -75.73 84.79 2.73 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.747 1.158 . . . . 0.0 109.635 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -79.74 122.03 26.08 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.242 2.217 . . . . 0.0 110.71 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.91 115.96 4.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -74.33 74.87 1.87 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.3 t -149.42 112.67 4.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.08 131.9 23.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.671 0.789 . . . . 0.0 110.916 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.59 -56.31 4.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.8 t -77.76 44.81 0.47 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.841 1.256 . . . . 0.0 109.984 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -83.79 53.01 2.41 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 120.901 -1.124 . . . . 0.0 109.66 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.89 133.08 47.75 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -97.81 123.66 41.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 125.05 1.34 . . . . 0.0 108.879 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -112.98 158.46 20.23 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.836 0.855 . . . . 0.0 111.527 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -69.17 -42.92 75.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.838 1.255 . . . . 0.0 111.984 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.5 p -127.02 155.84 42.59 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 110.691 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -59.26 -40.93 87.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.47 98.61 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.795 -0.566 . . . . 0.0 110.809 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.07 -46.15 89.01 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.242 0.928 . . . . 0.0 109.224 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 52.7 ttp -55.03 -49.04 72.54 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.896 0.479 . . . . 0.0 109.921 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.04 -48.48 81.55 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.592 0.757 . . . . 0.0 110.414 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.42 -51.62 64.32 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 119.359 0.981 . . . . 0.0 109.386 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -54.94 -54.97 35.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.698 0.285 . . . . 0.0 110.308 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -52.77 -44.68 66.7 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.711 0.767 . . . . 0.0 109.557 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.41 -61.8 2.33 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -47.23 -48.93 24.16 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.102 1.361 . . . . 0.0 112.38 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -92.13 -23.74 19.33 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -173.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.73 -28.0 3.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.864 1.211 . . . . 0.0 113.695 -173.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -86.89 -65.12 1.05 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.51 1.05 . . . . 0.0 108.631 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.2 pt -91.08 -3.87 10.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 123.021 0.529 . . . . 0.0 112.424 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 124.111 0.964 . . . . 0.0 110.444 -179.646 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.633 0 O4'-C1'-N19 110.487 3.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-N19 110.033 2.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.566 1 O4'-C1'-N19 111.346 4.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 P-O3'-C3' 123.441 3.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.59 1 O4'-C1'-N19 112.728 6.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C4'-C3' 108.118 2.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.087 0 O4'-C1'-N19 110.283 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.749 6.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 P-O3'-C3' 123.26 2.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.539 3.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.76 0 P-O3'-C3' 123.4 3.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.889 0 O4'-C1'-C2' 102.81 -2.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.42 0 C1'-O4'-C4' 105.929 -2.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.83 0 O4'-C1'-N19 110.312 3.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 1 O4'-C1'-N19 111.6 4.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.0 0 O4'-C1'-C2' 102.668 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 0 P-O3'-C3' 124.098 3.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 0 O4'-C1'-C2' 103.045 -2.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.748 0 O4'-C1'-C2' 103.287 -2.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.834 1 O4'-C1'-N19 111.353 4.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 113.978 7.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.698 1 O4'-C1'-N19 112.505 5.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C4'-C3' 108.231 2.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 O4'-C1'-C2' 103.319 -2.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.968 1 O4'-C1'-N19 111.521 4.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.579 0 O4'-C1'-C2' 102.882 -2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.87 1 O4'-C1'-N19 111.6 4.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 0 O4'-C4'-C3' 108.031 2.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.632 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.1 151.79 30.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.695 0.798 . . . . 0.0 109.776 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.22 153.97 29.89 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.207 1.003 . . . . 0.0 110.427 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -101.36 136.21 41.59 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 102.903 -2.999 . . . . 0.0 102.903 168.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.98 145.11 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.997 0.919 . . . . 0.0 108.724 -176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.56 114.41 6.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.362 1.065 . . . . 0.0 109.169 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -42.67 -38.79 2.16 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.722 2.009 . . . . 0.0 113.234 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.97 66.38 1.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.334 1.054 . . . . 0.0 108.982 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.13 -61.35 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 128.697 2.799 . . . . 0.0 115.071 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.95 -38.78 3.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.657 1.583 . . . . 0.0 112.951 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.8 t -56.7 -34.95 67.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.937 1.295 . . . . 0.0 112.066 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.09 60.32 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.361 0.981 . . . . 0.0 114.187 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.43 147.8 23.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.106 0.953 . . . . 0.0 108.918 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.89 151.03 17.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -151.31 155.76 39.39 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.606 0.639 . . . . 0.0 109.742 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -63.54 -62.91 1.36 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.482 0.658 . . . . 0.0 111.963 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -78.59 124.66 28.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.809 -173.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -46.99 -47.55 21.95 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.431 1.092 . . . . 0.0 111.774 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 17.5 p-90 -50.62 -42.53 56.27 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.259 0.624 . . . . 0.0 111.074 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -69.5 -45.18 69.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.92 -34.53 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.49 -48.76 71.48 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.042 -1.036 . . . . 0.0 108.95 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.97 -37.13 63.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.433 0.693 . . . . 0.0 109.914 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -69.26 -59.28 3.12 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 121.648 -0.657 . . . . 0.0 109.536 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 mt -47.4 -34.79 7.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.444 1.098 . . . . 0.0 112.647 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -46.25 -38.2 8.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.255 0.622 . . . . 0.0 111.729 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.58 -42.15 70.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.979 0.912 . . . . 0.0 111.745 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -91.37 -47.12 7.64 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.708 0.803 . . . . 0.0 111.819 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.5 p -85.16 -29.3 24.87 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 11.21 84.23 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -172.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -76.97 129.25 35.89 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.075 1.438 . . . . 0.0 109.515 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -131.84 79.41 67.95 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.62 -32.64 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 124.724 3.616 . . . . 0.0 117.185 -176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -114.77 77.01 4.44 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 118.89 0.768 . . . . 0.0 112.189 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.48 160.56 22.47 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.064 2.509 . . . . 0.0 108.337 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.2 t -82.15 -9.42 59.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.32 1.448 . . . . 0.0 113.209 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.32 -48.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.722 1.609 . . . . 0.0 114.571 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -43.07 140.36 1.48 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.885 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -55.9 127.85 32.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.56 -61.54 3.58 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.1 t -78.3 55.97 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.124 0.97 . . . . 0.0 109.76 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -81.63 -29.25 33.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.968 0.907 . . . . 0.0 110.108 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 42.1 -143.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.923 2.089 . . . . 0.0 112.833 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.6 94.31 0.1 OUTLIER Glycine 0 CA--C 1.521 0.417 0 N-CA-C 106.864 -2.494 . . . . 0.0 106.864 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.59 -1.22 30.75 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p 62.66 -25.7 0.06 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.02 2.23 . . . . 0.0 117.02 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -138.1 158.58 44.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.614 1.552 . . . . 0.0 109.245 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.7 -43.23 89.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -64.22 -42.81 96.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.103 -0.373 . . . . 0.0 110.817 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -56.66 -47.87 78.84 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.988 0.899 . . . . 0.0 108.641 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.01 -37.2 81.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.896 -0.503 . . . . 0.0 111.222 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.3 m -62.07 -50.33 72.41 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.3 -0.875 . . . . 0.0 109.408 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -61.23 -41.36 96.74 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.264 -0.974 . . . . 0.0 110.05 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -53.43 -46.36 69.79 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.796 0.725 . . . . 0.0 110.182 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -54.17 -24.11 16.9 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.4 mt -54.88 -32.33 60.76 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.131 0.878 . . . . 0.0 110.402 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -64.94 -31.73 73.1 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 117.822 0.283 . . . . 0.0 111.05 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -80.72 -48.82 12.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.842 0.857 . . . . 0.0 109.669 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -71.37 -23.81 61.97 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.41 68.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -79.86 55.35 2.06 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.875 0.845 . . . . 0.0 112.178 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -78.61 90.91 4.56 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.317 2.247 . . . . 0.0 106.507 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -131.79 -0.96 3.82 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -76.07 82.86 2.92 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 121.065 1.757 . . . . 0.0 109.42 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -76.72 108.98 10.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.527 1.931 . . . . 0.0 110.462 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.7 t -61.94 142.44 57.43 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -93.06 -96.92 0.14 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t 52.33 -147.03 0.47 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.995 0.918 . . . . 0.0 110.008 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.72 61.36 1.38 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.329 1.052 . . . . 0.0 109.918 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.27 35.55 85.1 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.805 0.716 . . . . 0.0 111.651 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -83.59 62.5 6.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.82 58.67 0.33 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.183 0.993 . . . . 0.0 113.326 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.96 117.35 26.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -87.74 100.27 12.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.366 1.466 . . . . 0.0 108.886 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -87.19 157.05 19.43 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.388 0.613 . . . . 0.0 111.055 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.8 p -71.7 -38.98 70.48 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.513 1.125 . . . . 0.0 111.517 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.6 p -132.96 155.51 48.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.181 0.515 . . . . 0.0 110.383 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -59.51 -39.85 85.18 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.47 99.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.857 -0.527 . . . . 0.0 110.952 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.96 -46.29 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.849 0.749 . . . . 0.0 109.349 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.5 ttp -54.97 -46.78 75.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.952 0.501 . . . . 0.0 110.423 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -62.68 -48.76 77.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.61 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -55.74 -47.84 76.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.636 1.107 . . . . 0.0 109.262 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -53.23 -53.32 52.41 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -55.41 -47.99 75.08 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.099 -0.375 . . . . 0.0 110.96 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -54.82 -45.25 74.4 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.765 1.626 . . . . 0.0 110.162 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -73.09 -38.37 66.42 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.879 0.872 . . . . 0.0 112.243 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -97.73 -74.49 0.57 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -75.65 -29.42 59.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.385 0.674 . . . . 0.0 112.575 -169.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.54 -31.3 65.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 mt -79.01 -52.85 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.527 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.742 0 O4'-C1'-N19 110.19 2.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.34 0 C1'-O4'-C4' 106.371 -2.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.429 1 O4'-C1'-N19 111.889 5.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.074 2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.356 1 O4'-C1'-N19 112.392 5.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C1'-N19 110.364 3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 110.319 3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.14 2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.707 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.412 1 O4'-C1'-N19 111.598 4.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 P-O3'-C3' 122.682 2.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.926 1 O4'-C1'-N19 112.08 5.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.316 0 P-O3'-C3' 122.676 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 1 O4'-C1'-N19 111.554 4.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.774 1 O4'-C1'-N19 111.457 4.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.302 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 O4'-C1'-N19 109.785 2.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.777 0 O4'-C1'-C2' 102.668 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 1 O4'-C1'-N19 112.674 6.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.782 0 P-O3'-C3' 123.106 2.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 1 O4'-C1'-N19 111.897 5.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.626 1 O4'-C1'-N19 113.71 7.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C4'-C3' 108.137 2.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.078 0 O4'-C1'-C2' 103.086 -2.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.988 1 O4'-C1'-N19 111.204 4.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.469 0 P-O3'-C3' 122.63 2.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.081 1 O4'-C1'-N19 111.542 4.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 O4'-C4'-C3' 108.073 2.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.18 0 P-O3'-C3' 122.655 2.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -78.46 54.78 1.49 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.651 0.78 . . . . 0.0 110.189 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 50.97 -131.91 1.98 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -153.45 131.72 11.97 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 101.0 -3.704 . . . . 0.0 101.0 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.05 142.62 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.448 0.699 . . . . 0.0 110.503 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.39 118.73 8.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.678 1.191 . . . . 0.0 110.102 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -46.92 -37.79 9.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.172 1.789 . . . . 0.0 113.103 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.18 64.84 1.47 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.499 1.12 . . . . 0.0 109.559 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -12.3 -67.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.316 3.047 . . . . 0.0 115.479 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.52 -37.95 2.68 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.842 1.657 . . . . 0.0 113.138 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -34.87 67.25 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.972 1.309 . . . . 0.0 111.948 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.03 30.6 54.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.868 1.223 . . . . 0.0 114.531 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.81 145.19 24.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.021 0.911 . . . . 0.0 108.714 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.15 147.07 24.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -149.1 147.21 28.22 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 118.273 0.488 . . . . 0.0 110.559 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -66.89 -46.39 75.06 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 125.573 1.549 . . . . 0.0 111.474 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -77.86 108.78 11.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -47.54 -44.7 26.15 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.862 1.265 . . . . 0.0 111.859 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -60.28 -34.68 74.09 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.179 0.992 . . . . 0.0 111.589 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -71.39 -41.49 69.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.4 -40.97 98.66 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 173.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.846 -1.159 . . . . 0.0 110.284 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -44.71 75.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -57.79 -53.64 55.88 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.557 -0.714 . . . . 0.0 110.109 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.5 -40.9 39.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 121.534 -0.729 . . . . 0.0 111.969 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 p -51.66 -31.6 26.26 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.622 0.646 . . . . 0.0 111.868 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -54.27 -43.34 70.93 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.584 0.629 . . . . 0.0 111.155 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -91.04 -51.36 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.993 0.917 . . . . 0.0 111.61 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 p -76.98 -31.2 56.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.023 1.329 . . . . 0.0 113.864 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.0 8.86 74.9 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -171.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.97 149.37 32.29 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 118.736 1.268 . . . . 0.0 111.024 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -134.09 77.92 60.41 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.542 1.137 . . . . 0.0 108.343 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.5 -26.18 5.98 Favored 'Trans proline' 0 C--N 1.346 0.403 1 C-N-CA 125.963 4.442 . . . . 0.0 119.171 -174.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -108.68 85.9 3.3 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 119.318 0.963 . . . . 0.0 111.236 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -74.01 145.66 35.91 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.005 1.804 . . . . 0.0 110.404 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.18 -24.23 43.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.92 0.888 . . . . 0.0 111.381 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt 65.43 -33.61 0.17 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -44.78 136.42 4.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.559 1.072 . . . . 0.0 112.093 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.27 126.03 13.89 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.053 0.941 . . . . 0.0 109.789 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.82 -58.6 3.86 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.4 t -77.26 45.05 0.44 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.346 1.458 . . . . 0.0 110.517 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -84.6 63.24 7.8 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.879 -1.138 . . . . 0.0 108.142 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.25 164.97 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.363 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.9 111.11 1.66 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -107.68 148.07 29.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.81 0.805 . . . . 0.0 110.402 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -88.1 -13.92 40.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.607 1.163 . . . . 0.0 112.649 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.468 ' HG ' ' CG ' ' A' ' 59' ' ' HIS . 74.0 p -149.15 152.57 36.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.989 0.813 . . . . 0.0 110.593 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.8 tp -58.43 -37.38 75.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -46.34 88.91 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.017 -0.427 . . . . 0.0 110.35 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.468 ' CG ' ' HG ' ' A' ' 56' ' ' SER . 63.1 m170 -57.41 -47.57 81.37 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.14 -39.41 78.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.921 0.391 . . . . 0.0 110.647 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.3 m -60.06 -52.0 67.24 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.554 -0.716 . . . . 0.0 109.307 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 ptt-85 -64.19 -37.54 87.82 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.337 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -55.23 -43.28 74.4 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.376 -0.827 . . . . 0.0 109.427 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -56.8 -18.11 11.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.0 -35.86 71.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.662 1.119 . . . . 0.0 109.051 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 p -65.9 -33.57 76.14 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.339 0.256 . . . . 0.0 111.245 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -78.07 -49.71 13.44 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.903 0.881 . . . . 0.0 109.533 -177.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -69.52 -27.22 64.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.92 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.89 20.99 62.18 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.563 1.078 . . . . 0.0 110.513 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.25 47.67 0.93 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.285 1.04 . . . . 0.0 112.5 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -81.74 66.53 7.35 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -106.62 2.23 25.82 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -170.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -75.49 85.66 2.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 119.101 0.864 . . . . 0.0 109.377 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -78.76 120.84 23.99 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 127.003 2.121 . . . . 0.0 110.137 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.69 114.35 3.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -75.02 74.02 2.21 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 t -145.07 116.3 7.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.61 128.4 15.04 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.095 0.958 . . . . 0.0 111.006 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.02 -53.44 4.37 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.57 51.12 0.87 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.575 1.15 . . . . 0.0 110.067 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.66 53.22 2.3 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.003 -1.061 . . . . 0.0 109.511 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.84 128.36 36.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.5 0.72 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -94.42 129.68 41.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.299 1.04 . . . . 0.0 109.379 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -115.65 164.27 14.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.636 0.774 . . . . 0.0 111.585 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 p -69.12 -58.99 3.34 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.943 1.697 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.0 p -115.85 145.57 42.75 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.993 0.917 . . . . 0.0 110.057 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -44.93 -52.79 8.34 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.095 0.958 . . . . 0.0 110.819 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.83 -28.84 64.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.81 -44.21 77.81 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -61.66 -41.08 97.05 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.572 0.749 . . . . 0.0 109.669 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.63 -55.99 27.57 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.84 0.746 . . . . 0.0 109.143 176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -50.75 -52.31 41.88 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.457 0.703 . . . . 0.0 109.635 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -55.07 -55.04 35.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.678 0.217 . . . . 0.0 111.242 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -54.12 -44.97 71.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.575 0.703 . . . . 0.0 110.192 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.99 -63.71 1.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -48.78 -45.74 40.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.819 2.448 . . . . 0.0 113.504 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.24 -23.97 15.91 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.157 1.539 . . . . 0.0 115.157 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.19 -48.41 1.2 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.979 1.263 . . . . 0.0 113.781 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -42.03 61.95 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 119.031 0.832 . . . . 0.0 112.04 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.93 -32.72 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 118.703 0.683 . . . . 0.0 109.181 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.194 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.545 0 O4'-C1'-N19 110.454 3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.206 0 P-O3'-C3' 122.808 2.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.276 3.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 P-O3'-C3' 123.11 2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.477 1 O4'-C1'-N19 112.046 5.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.311 4.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 0 N19-C1'-C2' 108.047 -3.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.502 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 1 O4'-C1'-N19 111.911 5.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 P-O3'-C3' 123.256 2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 1 O4'-C1'-N19 112.11 5.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 0 P-O3'-C3' 122.829 2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 O4'-C1'-N19 110.745 3.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.333 0 P-O3'-C3' 122.846 2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-N19 110.427 3.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 1 O4'-C1'-N19 111.295 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 0 C3'-C2'-C1' 99.418 -2.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 P-O3'-C3' 122.507 2.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C1'-C2' 102.206 -3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.809 1 O4'-C1'-N19 113.37 6.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 109.788 2.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.967 1 O4'-C1'-N19 112.892 6.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 1 O4'-C1'-N19 112.956 6.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C4'-C3' 108.133 2.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 0 O4'-C1'-C2' 102.802 -2.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.922 0 O4'-C1'-N19 110.275 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.752 0 O4'-C1'-C2' 102.689 -3.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.906 1 O4'-C1'-N19 111.419 4.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C4'-C3' 108.154 2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.663 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -78.72 140.44 38.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -132.56 142.42 49.15 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -79.83 129.88 34.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 mt -105.75 132.46 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 111.071 -176.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.0 t -57.38 130.94 48.51 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 110.735 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 p -69.72 -68.67 0.4 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.824 1.65 . . . . 0.0 112.674 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -19.23 102.6 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 128.168 2.587 . . . . 0.0 114.802 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.33 36.64 2.39 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.036 1.334 . . . . 0.0 113.279 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 58.93 38.9 24.26 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.578 1.151 . . . . 0.0 111.572 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -42.56 -40.28 2.61 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.292 1.437 . . . . 0.0 112.055 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.45 10.71 86.08 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 113.901 0.32 . . . . 0.0 113.901 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.6 103.79 6.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.6 136.77 44.57 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.11 0.964 . . . . 0.0 111.552 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.06 152.58 46.3 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.329 0.652 . . . . 0.0 110.988 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -78.56 -46.91 18.34 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.273 1.029 . . . . 0.0 111.575 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -88.35 136.91 32.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 121.937 -0.477 . . . . 0.0 110.328 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.86 -46.54 84.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.583 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.1 p-90 -55.17 -38.8 68.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.658 0.783 . . . . 0.0 111.384 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -64.76 -47.64 77.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.78 -40.36 92.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.117 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -58.21 -47.25 84.05 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 119.59 1.086 . . . . 0.0 109.927 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.66 77.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -60.01 -55.74 30.3 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.811 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.09 -33.01 50.26 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.864 0.866 . . . . 0.0 111.68 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 p -55.44 -30.03 59.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.058 0.845 . . . . 0.0 111.25 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -36.71 78.14 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.87 0.468 . . . . 0.0 110.882 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -90.63 -50.33 5.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.365 0.666 . . . . 0.0 111.076 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -79.39 -33.83 42.4 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.51 88.08 Favored Glycine 0 CA--C 1.537 1.437 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -171.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.86 139.7 37.05 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.957 1.378 . . . . 0.0 110.658 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -129.7 82.68 66.47 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 124.483 1.113 . . . . 0.0 108.079 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.22 -22.45 11.29 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.699 4.266 . . . . 0.0 118.484 -174.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.53 79.26 0.98 Allowed Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 119.247 0.931 . . . . 0.0 110.362 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.95 155.68 52.85 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.562 1.508 . . . . 0.0 108.954 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -81.85 147.98 29.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.24 142.69 34.38 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.725 0.693 . . . . 0.0 110.364 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.03 134.76 56.64 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -59.17 3.88 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.93 61.76 2.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.557 1.143 . . . . 0.0 108.836 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -83.08 -27.46 30.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.009 1.324 . . . . 0.0 109.908 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 43.82 -134.01 0.59 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.887 1.675 . . . . 0.0 111.701 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.46 99.69 0.14 Allowed Glycine 0 CA--C 1.521 0.437 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -111.76 155.57 23.3 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.728 0.764 . . . . 0.0 109.589 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -103.42 -2.89 26.22 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.841 0.856 . . . . 0.0 113.303 -176.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -155.49 155.35 33.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.104 0.865 . . . . 0.0 111.158 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.0 -42.07 93.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.064 176.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -57.98 -50.4 73.53 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -43.84 97.27 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.68 -45.02 93.34 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.968 0.507 . . . . 0.0 109.89 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 50.7 m -60.13 -48.8 80.2 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -57.33 -47.6 81.12 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -55.79 -45.69 78.14 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.143 -0.973 . . . . 0.0 110.03 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -57.67 -17.51 15.32 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.36 -35.35 67.56 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.348 0.976 . . . . 0.0 109.233 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.0 p -64.55 -35.55 81.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.851 0.46 . . . . 0.0 111.376 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.39 -50.09 12.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.923 0.889 . . . . 0.0 109.63 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -65.6 -25.79 67.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.379 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.91 33.19 57.91 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -79.38 47.95 0.86 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.906 0.86 . . . . 0.0 111.804 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -82.46 67.86 8.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.17 7.26 6.52 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -77.14 84.22 3.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 m -77.24 116.12 17.59 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.423 1.889 . . . . 0.0 110.335 -174.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.77 116.3 3.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 174.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.59 71.12 1.86 Allowed 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.892 0.477 . . . . 0.0 110.467 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -149.01 116.67 6.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.77 138.67 18.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 110.26 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.27 -59.82 4.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.41 47.77 0.72 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.892 0.877 . . . . 0.0 110.177 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -82.63 54.37 2.63 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -73.0 124.84 26.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.782 0.833 . . . . 0.0 109.447 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -93.82 110.09 21.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.546 1.138 . . . . 0.0 109.988 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.22 161.17 14.37 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.105 0.562 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 p -69.87 -55.37 9.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 125.308 1.443 . . . . 0.0 111.207 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 p -112.04 154.93 24.63 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.353 0.661 . . . . 0.0 109.61 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -56.27 -44.23 79.55 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.04 83.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.894 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.33 -44.4 95.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.678 1.126 . . . . 0.0 109.212 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.03 -46.84 84.65 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.015 0.526 . . . . 0.0 109.945 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.15 -50.11 75.31 Favored 'General case' 0 CA--C 1.528 0.114 0 O-C-N 121.625 -0.672 . . . . 0.0 110.161 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -55.8 -45.19 78.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.944 0.793 . . . . 0.0 109.569 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -56.54 -52.09 66.08 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -55.55 -46.43 77.11 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.968 -0.457 . . . . 0.0 110.907 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.05 -46.4 78.93 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.671 1.588 . . . . 0.0 110.267 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.34 -38.98 71.62 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -100.31 -70.57 0.73 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -75.06 -33.19 61.68 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -170.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.57 -29.73 63.8 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.65 -51.1 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 174.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.143 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.481 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.275 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 112.212 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 1 O4'-C1'-N19 111.913 5.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.449 3.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 P-O3'-C3' 122.637 2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.937 0 P-O3'-C3' 122.89 2.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.598 1 O4'-C1'-N19 112.599 5.999 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 0 P-O3'-C3' 122.857 2.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 1 O4'-C1'-N19 111.863 5.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.425 0 O4'-C1'-N19 110.02 2.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C1'-N19 110.827 3.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.893 1 O4'-C1'-N19 111.356 4.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.782 1 O4'-C1'-N19 111.65 4.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 0 P-O3'-C3' 123.14 2.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 101.829 -3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.826 1 O4'-C1'-N19 113.186 6.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.723 4.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.661 1 O4'-C1'-N19 113.786 7.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C4'-C3' 108.398 2.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.611 0 P-O3'-C3' 122.825 2.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 1 O4'-C1'-N19 112.428 5.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 O4'-C1'-C2' 102.742 -3.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 1 O4'-C1'-N19 111.646 4.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 0 O4'-C4'-C3' 108.201 2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.556 0 O4'-C1'-N19 110.215 3.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -67.24 150.48 49.02 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -176.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.87 141.78 47.46 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.084 1.354 . . . . 0.0 109.529 177.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -81.85 136.72 35.34 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 169.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -109.79 142.69 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.571 0.748 . . . . 0.0 109.927 -176.133 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.18 118.11 8.12 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.379 1.072 . . . . 0.0 109.797 178.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.19 -40.51 3.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.724 2.009 . . . . 0.0 112.769 -179.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -75.29 65.37 1.61 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.708 1.203 . . . . 0.0 109.01 178.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.26 -60.52 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 128.964 2.906 . . . . 0.0 115.13 -176.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.63 -38.17 2.91 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.773 1.629 . . . . 0.0 112.914 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -55.7 -35.47 66.11 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.51 23.44 62.68 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.016 0.817 . . . . 0.0 113.904 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.25 140.92 29.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.151 0.976 . . . . 0.0 109.008 178.269 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.5 144.65 20.83 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -151.61 145.45 25.11 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.395 0.543 . . . . 0.0 109.795 179.06 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.05 -56.28 8.21 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 122.693 1.235 . . . . 0.0 112.224 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.12 79.43 1.75 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.206 -174.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -11.91 -60.35 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 129.929 3.292 . . . . 0.0 115.283 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 33.5 p-90 -44.14 -39.39 4.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.923 1.289 . . . . 0.0 112.563 -179.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.08 -40.06 94.09 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.75 1.22 . . . . 0.0 110.198 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.13 -41.68 63.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.876 0.87 . . . . 0.0 108.837 177.493 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -54.66 -50.21 68.75 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.51 64.91 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.877 -0.582 . . . . 0.0 109.63 177.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -46.25 -49.87 16.71 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.834 0.743 . . . . 0.0 111.257 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -53.15 -26.37 16.75 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -54.79 -33.31 61.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.301 0.955 . . . . 0.0 110.909 177.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -52.69 -45.59 66.91 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.662 0.785 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.34 -46.84 7.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.704 0.802 . . . . 0.0 112.041 -175.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.4 p -83.56 -27.88 28.97 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -173.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.9 10.2 83.7 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -172.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.94 158.88 29.17 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.658 1.229 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -133.02 76.45 70.09 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -44.81 -27.55 2.48 Favored 'Trans proline' 0 CA--C 1.532 0.414 1 C-N-CA 126.449 4.766 . . . . 0.0 118.922 -174.303 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.76 86.71 5.99 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.541 1.064 . . . . 0.0 111.432 -175.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -70.71 146.06 53.33 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.494 2.129 . . . . 0.0 110.82 178.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.37 -18.39 42.22 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.049 0.94 . . . . 0.0 112.102 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt 67.82 -44.84 0.49 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.703 2.001 . . . . 0.0 115.755 176.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -40.49 134.41 1.74 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.813 1.245 . . . . 0.0 113.222 -176.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -56.26 133.44 52.57 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.31 -62.38 3.42 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.06 46.25 0.58 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.841 1.256 . . . . 0.0 110.156 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -84.29 59.76 5.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -67.25 167.43 12.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.67 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.71 113.71 1.74 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 106.124 -2.79 . . . . 0.0 106.124 175.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.04 144.86 30.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.686 0.794 . . . . 0.0 109.729 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -81.9 -20.78 38.08 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.689 0.795 . . . . 0.0 112.448 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.404 ' HG ' ' CD2' ' A' ' 59' ' ' HIS . 3.1 p -141.65 155.48 45.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.917 0.78 . . . . 0.0 110.864 178.301 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.47 -41.99 91.03 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.592 175.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.56 89.47 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 122.005 -0.434 . . . . 0.0 110.746 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.404 ' CD2' ' HG ' ' A' ' 56' ' ' SER . 43.2 m170 -58.99 -48.27 82.19 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.19 -42.93 87.2 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.215 0.531 . . . . 0.0 110.187 177.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.0 m -57.07 -53.33 59.28 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -65.32 -36.82 85.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.386 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.8 -42.07 71.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.045 0.839 . . . . 0.0 109.559 176.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m -54.94 -19.91 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.6 -35.87 73.11 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.024 -1.047 . . . . 0.0 109.622 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.1 p -65.2 -32.56 74.3 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.813 0.279 . . . . 0.0 110.937 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -79.58 -52.24 8.26 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 124.004 0.922 . . . . 0.0 110.023 -178.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -66.65 -30.43 70.69 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.42 20.77 63.58 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.36 0.981 . . . . 0.0 111.431 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -78.78 52.74 1.26 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.23 1.015 . . . . 0.0 111.717 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -79.61 63.69 4.27 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.044 2.137 . . . . 0.0 105.947 177.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -98.6 -9.36 24.91 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -74.13 93.85 2.35 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -175.225 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -90.46 127.42 36.21 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.41 1.884 . . . . 0.0 110.898 -175.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.09 114.27 3.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.343 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.15 74.07 1.76 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 t -148.32 113.22 5.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.3 132.63 24.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.695 0.798 . . . . 0.0 110.796 -177.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.66 -57.03 4.93 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 -177.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.87 44.94 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.543 1.137 . . . . 0.0 110.1 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.43 53.11 2.4 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 120.936 -1.103 . . . . 0.0 109.578 -179.437 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 138.85 52.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -100.52 143.75 30.33 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.88 0.872 . . . . 0.0 108.896 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -131.77 158.84 40.17 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.147 0.579 . . . . 0.0 111.296 -178.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -57.39 9.15 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.687 1.595 . . . . 0.0 112.694 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.0 p -118.65 157.53 27.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.198 0.908 . . . . 0.0 109.108 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -52.3 -43.05 64.27 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.49 -27.31 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.578 -0.701 . . . . 0.0 112.614 -178.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -64.53 -48.3 75.6 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 ttp -56.48 -48.32 77.36 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.581 0.752 . . . . 0.0 109.291 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -57.91 -52.13 66.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.984 0.514 . . . . 0.0 110.065 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -51.84 -54.64 26.65 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 118.844 0.747 . . . . 0.0 109.656 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -54.8 -54.39 42.85 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.889 0.313 . . . . 0.0 110.583 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -53.96 -45.18 71.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.504 0.668 . . . . 0.0 109.673 -177.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -60.02 -62.43 1.87 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.39 0.614 . . . . 0.0 109.467 178.021 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.64 -45.07 18.93 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.1 2.16 . . . . 0.0 112.426 -179.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -96.15 -25.97 15.65 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -123.6 -24.12 4.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.832 1.196 . . . . 0.0 113.859 -172.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -90.5 -65.02 1.05 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.8 pt -92.63 -8.3 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.321 0.648 . . . . 0.0 112.693 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.4 mptt . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 123.861 0.864 . . . . 0.0 110.165 -179.208 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 O4'-C1'-N19 110.212 3.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 P-O3'-C3' 122.843 2.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.315 4.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 0 P-O3'-C3' 123.452 3.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.67 1 O4'-C1'-N19 112.15 5.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.195 2.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.064 0 O4'-C1'-N19 110.613 3.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 109.868 2.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 2 O4'-C1'-C2' 101.238 -4.42 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-C2' 102.854 -2.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.384 1 O4'-C1'-N19 111.071 4.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 109.738 2.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 1 O4'-C1'-N19 111.923 5.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.461 0 P-O3'-C3' 122.728 2.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.036 0 O4'-C1'-C2' 102.784 -3.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.667 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 0 O4'-C4'-C3' 108.224 2.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.819 1 O4'-C1'-N19 112.033 5.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.693 0 P-O3'-C3' 123.043 2.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.898 1 O4'-C1'-N19 111.665 4.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.655 1 O4'-C1'-N19 114.31 8.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C4'-C3' 108.239 2.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.554 0 P-O3'-C3' 122.985 2.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.876 1 O4'-C1'-N19 111.831 5.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.552 0 P-O3'-C3' 122.72 2.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.94 1 O4'-C1'-N19 111.84 5.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.801 0 O4'-C4'-C3' 108.019 2.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.776 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -78.6 92.38 4.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 179.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -62.16 109.36 1.28 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -73.51 130.65 40.53 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 178.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mt -94.17 145.58 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.245 1.418 . . . . 0.0 111.485 -174.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -56.16 128.52 35.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.441 1.897 . . . . 0.0 110.312 176.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.91 -44.28 4.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.536 1.934 . . . . 0.0 112.248 -179.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -76.57 64.46 2.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.299 1.04 . . . . 0.0 108.9 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.07 -61.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 128.987 2.915 . . . . 0.0 115.295 -176.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -42.44 -38.11 1.8 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.0 1.72 . . . . 0.0 113.006 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -52.34 -37.03 55.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.26 1.424 . . . . 0.0 112.197 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.0 13.15 56.93 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 123.808 0.718 . . . . 0.0 114.62 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.43 136.71 36.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.79 140.21 24.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.735 -1.126 . . . . 0.0 108.686 -178.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -144.01 -16.99 0.59 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 -173.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.32 -49.47 0.67 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.829 1.649 . . . . 0.0 113.462 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -75.03 110.4 9.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.79 -52.96 10.35 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.357 0.663 . . . . 0.0 111.848 -177.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -53.31 -42.08 66.3 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.354 0.525 . . . . 0.0 111.4 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -46.77 70.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.047 0.939 . . . . 0.0 109.569 -176.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -46.43 80.8 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 109.847 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.59 -45.68 84.97 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.736 0.814 . . . . 0.0 109.377 176.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -53.52 56.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -48.84 -53.08 20.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.711 0.687 . . . . 0.0 110.271 175.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -55.06 -21.25 11.85 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.205 -0.902 . . . . 0.0 113.138 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -55.04 -35.67 64.72 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.184 1.357 . . . . 0.0 110.949 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -62.22 -37.11 84.13 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.471 0.578 . . . . 0.0 112.24 178.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -84.96 -46.66 11.02 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.846 0.355 . . . . 0.0 111.455 -178.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.0 p -87.82 -28.9 21.35 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -172.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 8.42 87.84 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -172.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -78.1 148.67 34.1 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.777 1.289 . . . . 0.0 111.32 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -134.37 76.77 61.56 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -48.22 -25.75 7.31 Favored 'Trans proline' 0 N--CA 1.459 -0.502 1 C-N-CA 125.328 4.019 . . . . 0.0 118.762 -173.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -114.46 81.18 6.59 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 119.47 1.032 . . . . 0.0 111.722 -174.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.07 148.59 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.147 1.898 . . . . 0.0 110.941 178.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 -25.51 37.92 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.205 0.602 . . . . 0.0 110.692 178.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.08 -39.71 0.4 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.61 1.964 . . . . 0.0 115.532 176.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -42.06 136.64 2.09 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.972 1.309 . . . . 0.0 112.632 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -52.42 132.66 34.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.062 0.945 . . . . 0.0 109.281 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.2 -62.93 3.33 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -78.41 49.09 0.82 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.905 0.882 . . . . 0.0 110.897 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -82.65 60.7 5.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -69.01 163.91 23.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.589 0.756 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 104.32 0.72 Allowed Glycine 0 C--N 1.335 0.513 0 N-CA-C 107.354 -2.299 . . . . 0.0 107.354 175.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.94 149.23 23.17 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 118.524 1.162 . . . . 0.0 109.628 178.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -89.22 -7.71 54.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.091 0.956 . . . . 0.0 112.867 -178.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.425 ' HG ' ' CG ' ' A' ' 59' ' ' HIS . 86.2 p -152.19 150.84 30.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.268 0.94 . . . . 0.0 110.846 176.738 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.83 -39.13 76.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -47.29 84.62 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.162 -0.336 . . . . 0.0 110.233 179.654 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.425 ' CG ' ' HG ' ' A' ' 56' ' ' SER . 1.7 m-70 -58.05 -46.61 85.1 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.458 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.75 -42.2 75.07 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.823 0.344 . . . . 0.0 110.16 177.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 m -58.4 -53.19 61.07 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.98 0.512 . . . . 0.0 109.897 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.587 -1.245 . . . . 0.0 110.923 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.32 -42.28 73.55 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.499 -0.751 . . . . 0.0 109.971 176.346 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 m -55.34 -19.5 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.17 -35.22 69.29 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.923 0.783 . . . . 0.0 109.44 174.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -67.07 -35.19 79.29 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.896 0.478 . . . . 0.0 111.693 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -76.77 -47.59 21.23 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 p -66.93 -26.28 66.77 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.761 178.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.05 25.81 56.9 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 -177.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.03 49.2 1.2 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.867 0.867 . . . . 0.0 111.552 -178.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -81.46 69.69 8.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -118.69 6.17 11.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -169.759 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -77.03 82.03 3.55 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 119.661 1.118 . . . . 0.0 108.557 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -77.66 117.01 18.66 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 126.278 1.831 . . . . 0.0 110.652 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.39 114.09 2.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.74 70.73 1.9 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.946 0.498 . . . . 0.0 110.375 -177.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 t -146.62 117.33 7.59 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.298 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.84 138.49 18.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.257 0.623 . . . . 0.0 110.201 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.07 -59.95 4.49 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -177.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.43 49.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.578 0.751 . . . . 0.0 110.263 177.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.57 53.6 2.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.101 -0.999 . . . . 0.0 109.051 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.0 mt -71.16 125.71 27.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.624 0.77 . . . . 0.0 109.321 -178.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -92.83 114.41 26.96 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.806 1.243 . . . . 0.0 109.487 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -100.81 162.45 12.9 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.613 0.765 . . . . 0.0 110.887 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 p -76.0 -30.51 58.55 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.236 1.415 . . . . 0.0 112.668 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 p -141.26 156.37 45.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.135 0.879 . . . . 0.0 109.578 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.16 -43.35 87.39 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.87 88.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.654 -0.653 . . . . 0.0 111.414 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.7 -46.16 89.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.199 0.909 . . . . 0.0 109.699 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 ttp -56.12 -46.08 79.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.909 0.484 . . . . 0.0 110.379 176.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.54 -46.39 86.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.316 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -55.87 -48.51 75.42 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 119.767 1.167 . . . . 0.0 108.991 176.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -53.92 -53.05 58.04 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.45 -49.04 68.24 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.07 -0.394 . . . . 0.0 110.904 -179.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -55.94 -45.06 78.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.775 1.63 . . . . 0.0 110.532 177.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.9 -27.62 61.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.559 1.143 . . . . 0.0 112.824 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -114.14 -68.61 0.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -173.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -76.72 -27.9 55.63 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.656 -0.652 . . . . 0.0 112.531 -170.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -34.98 68.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.249 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 pt -79.64 -45.5 23.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 176.676 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mt -90.7 143.61 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.592 0.757 . . . . 0.0 111.683 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -61.57 124.59 21.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.576 1.551 . . . . 0.0 110.332 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -42.77 -43.09 3.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.928 2.091 . . . . 0.0 112.828 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -75.71 63.23 1.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.277 1.031 . . . . 0.0 109.571 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.92 -65.29 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.153 2.981 . . . . 0.0 115.561 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.25 -37.25 2.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.964 1.705 . . . . 0.0 113.104 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.9 t -53.39 -35.89 60.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.316 1.446 . . . . 0.0 111.991 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.2 58.85 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.07 0.843 . . . . 0.0 114.739 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 142.74 31.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.599 1.2 . . . . 0.0 108.464 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.14 139.06 17.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.164 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -151.08 135.86 17.25 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -31.9 66.07 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.114 -0.991 . . . . 0.0 110.722 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -76.75 119.02 19.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -53.76 -48.35 69.81 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.126 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -52.39 -44.64 65.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.948 0.899 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -50.58 73.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.55 -35.9 79.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.861 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.41 -49.53 75.14 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 119.534 1.061 . . . . 0.0 109.102 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.22 74.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.617 0.367 . . . . 0.0 110.76 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -63.55 -60.34 3.47 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.839 -0.538 . . . . 0.0 109.823 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.56 -34.82 38.42 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.503 1.121 . . . . 0.0 112.274 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -52.73 -32.92 45.61 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.865 0.757 . . . . 0.0 111.321 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.42 -35.55 77.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.641 0.376 . . . . 0.0 111.601 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.13 -50.06 6.21 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.189 0.596 . . . . 0.0 110.955 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -82.1 -30.82 31.03 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.035 1.334 . . . . 0.0 114.517 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.48 7.99 87.09 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.38 144.4 35.98 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.927 1.363 . . . . 0.0 110.641 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -134.1 77.39 61.7 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 124.573 1.149 . . . . 0.0 108.57 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -47.86 -26.08 6.8 Favored 'Trans proline' 0 CA--C 1.533 0.459 1 C-N-CA 125.71 4.274 . . . . 0.0 119.23 -174.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -112.36 78.8 2.7 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 119.909 1.232 . . . . 0.0 111.68 -175.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -75.79 150.82 35.36 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.434 2.089 . . . . 0.0 111.978 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.23 -21.38 50.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.225 1.01 . . . . 0.0 111.309 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt 70.29 -47.0 0.62 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.642 1.977 . . . . 0.0 114.086 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -40.01 133.78 1.62 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.489 1.515 . . . . 0.0 113.158 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -55.63 138.16 47.7 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.715 0.806 . . . . 0.0 108.887 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.89 -65.86 2.87 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.94 50.45 1.02 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.63 0.715 . . . . 0.0 110.593 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.07 59.77 4.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -69.43 158.4 35.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.579 0.751 . . . . 0.0 109.4 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 98.74 0.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -88.73 143.47 26.9 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 p -90.4 -2.42 57.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.653 -0.654 . . . . 0.0 111.834 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -154.94 150.3 27.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 122.014 -0.429 . . . . 0.0 110.059 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 58' ' ' HIS . 2.5 tm? -74.12 164.34 26.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.592 ' N ' HD13 ' A' ' 57' ' ' LEU 0.32 1.7 t60 74.48 -40.41 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.772 1.629 . . . . 0.0 112.427 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -59.41 -36.28 75.56 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 169.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.83 -43.7 98.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.364 1.066 . . . . 0.0 109.327 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -63.36 -48.03 79.63 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.116 -0.99 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -61.7 -40.15 93.99 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.373 0.988 . . . . 0.0 108.879 176.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -43.59 77.07 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.673 0.67 . . . . 0.0 109.208 173.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.0 m -54.57 -20.85 8.75 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.44 -34.55 69.08 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.119 0.872 . . . . 0.0 109.514 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.5 p -68.42 -33.87 74.98 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.304 0.641 . . . . 0.0 111.857 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -76.62 -47.55 21.95 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.9 p -69.08 -25.53 64.48 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.311 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.84 27.19 59.09 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -79.79 62.21 3.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.516 0.727 . . . . 0.0 111.949 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -75.91 117.21 17.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -145.97 -18.39 0.45 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -171.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.45 88.88 2.65 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.573 1.079 . . . . 0.0 109.006 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.6 m -77.87 118.91 20.65 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.485 1.914 . . . . 0.0 110.893 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.87 117.25 4.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.59 74.98 2.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t -149.86 113.32 4.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.54 131.78 25.17 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.709 0.804 . . . . 0.0 110.915 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.51 -56.21 4.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.69 44.26 0.44 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.02 1.328 . . . . 0.0 109.907 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.54 52.85 2.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 120.866 -1.146 . . . . 0.0 109.566 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.81 131.68 44.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -97.08 123.65 40.88 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.742 1.217 . . . . 0.0 109.149 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -109.64 161.07 15.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 0.0 111.391 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -71.98 -36.35 69.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.301 1.44 . . . . 0.0 112.718 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.6 p -135.72 158.05 45.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.529 0.604 . . . . 0.0 110.247 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -56.56 -44.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.71 97.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.83 -0.544 . . . . 0.0 111.208 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -61.41 -44.25 97.45 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.305 0.957 . . . . 0.0 109.443 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.23 -48.06 74.47 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -59.27 -51.23 70.84 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.571 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -51.09 -52.35 44.42 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 119.432 1.015 . . . . 0.0 109.413 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -56.05 -54.23 47.51 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.873 0.306 . . . . 0.0 110.18 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.06 -43.42 63.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.558 0.694 . . . . 0.0 110.426 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -65.0 -64.8 0.78 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.629 0.772 . . . . 0.0 109.093 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -45.68 -38.77 7.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.084 2.154 . . . . 0.0 113.235 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -102.74 -19.41 14.75 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -134.08 -64.48 0.69 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 120.237 1.38 . . . . 0.0 109.918 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.34 0.155 0 CA-C-O 121.466 0.651 . . . . 0.0 110.893 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.17 142.4 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.923 0.889 . . . . 0.0 109.872 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.83 123.19 17.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.636 1.174 . . . . 0.0 109.227 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 p -52.09 -36.78 51.93 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.608 1.563 . . . . 0.0 112.609 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.95 65.3 1.41 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.98 . . . . 0.0 109.701 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.72 -65.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.305 3.042 . . . . 0.0 115.283 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.64 -38.22 2.96 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.84 1.656 . . . . 0.0 113.012 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 t -56.99 -34.86 68.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.122 1.369 . . . . 0.0 112.068 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.04 29.52 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.558 1.075 . . . . 0.0 114.35 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.89 144.3 25.83 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.134 0.967 . . . . 0.0 109.042 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.58 144.96 20.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -151.12 152.77 33.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -82.48 -40.04 21.65 Favored 'General case' 0 C--O 1.227 -0.094 0 O-C-N 121.902 -0.499 . . . . 0.0 112.038 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -73.89 118.48 16.9 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.67 -54.38 9.7 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.432 1.093 . . . . 0.0 110.592 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 p-90 -52.08 -40.34 61.07 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.895 0.878 . . . . 0.0 110.93 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -69.25 -48.71 61.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.929 -0.482 . . . . 0.0 109.744 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.41 -37.52 81.12 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.099 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -59.65 -47.9 83.8 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.875 1.216 . . . . 0.0 109.545 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.29 66.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.127 0.571 . . . . 0.0 110.345 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -67.71 -56.39 9.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.4 mt -48.0 -36.96 13.67 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 112.056 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 p -50.56 -34.07 24.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.049 0.386 . . . . 0.0 112.038 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -51.96 -43.16 63.39 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.793 0.837 . . . . 0.0 110.888 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -92.35 -49.33 6.21 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.873 0.869 . . . . 0.0 111.801 -177.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -81.76 -28.02 33.48 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.12 10.59 86.17 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -77.43 129.4 35.71 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.91 1.355 . . . . 0.0 109.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -128.22 82.21 68.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -48.34 -25.56 7.37 Favored 'Trans proline' 0 C--N 1.347 0.489 1 C-N-CA 125.525 4.15 . . . . 0.0 118.125 -174.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.59 81.57 3.31 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 119.162 0.892 . . . . 0.0 111.092 -176.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.59 154.04 39.49 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.755 2.303 . . . . 0.0 110.504 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.46 -24.36 34.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.927 0.891 . . . . 0.0 111.178 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? 68.18 -35.36 0.28 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.44 1.896 . . . . 0.0 115.813 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -45.85 137.92 5.24 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.918 0.887 . . . . 0.0 112.216 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -57.09 132.98 54.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -62.83 3.31 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.5 t -78.05 47.67 0.67 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.424 1.09 . . . . 0.0 110.353 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.2 60.88 6.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.4 162.45 22.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.84 110.99 1.38 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 107.609 -2.197 . . . . 0.0 107.609 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -112.46 152.83 28.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.672 0.789 . . . . 0.0 109.544 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -88.35 -17.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -142.55 158.85 43.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.45 -34.84 77.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -45.9 65.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.866 0.867 . . . . 0.0 108.792 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -58.48 -46.43 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.11 -41.3 87.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.438 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.2 m -60.36 -51.62 68.75 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.399 -0.813 . . . . 0.0 110.724 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -56.34 -37.2 69.66 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.029 0.832 . . . . 0.0 110.848 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -64.72 -48.8 73.31 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.985 -0.447 . . . . 0.0 110.238 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -51.52 -30.43 20.37 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.162 0.985 . . . . 0.0 112.259 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -49.64 -32.93 14.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.256 0.48 . . . . 0.0 111.636 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.2 p -64.34 -30.72 71.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.596 0.358 . . . . 0.0 111.503 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.81 -48.53 14.6 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.165 0.986 . . . . 0.0 109.515 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -71.83 -24.97 61.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.051 0.54 . . . . 0.0 110.907 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 35.77 41.01 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.0 51.35 1.13 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.821 0.819 . . . . 0.0 111.537 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -81.03 62.53 5.04 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.953 1.701 . . . . 0.0 107.506 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -118.46 3.66 11.82 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -76.13 87.16 3.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.923 1.238 . . . . 0.0 108.22 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.5 m -77.35 118.14 19.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.489 1.916 . . . . 0.0 111.161 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -60.89 117.42 5.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.53 74.29 1.96 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -149.26 112.77 5.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.03 131.3 22.99 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.82 0.848 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.33 -55.76 4.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.1 t -77.72 44.99 0.48 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.911 1.284 . . . . 0.0 109.926 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -83.84 52.28 2.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 120.813 -1.179 . . . . 0.0 109.593 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.26 134.11 49.88 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -103.28 112.59 25.53 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 124.152 0.981 . . . . 0.0 109.033 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -96.33 161.95 13.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.939 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -50.68 28.1 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 126.238 1.815 . . . . 0.0 111.687 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.1 p -117.91 155.66 29.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.707 0.685 . . . . 0.0 109.765 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.49 -40.8 79.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.13 93.13 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.761 -0.587 . . . . 0.0 111.123 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.28 -44.76 96.69 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.084 0.856 . . . . 0.0 108.701 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.9 ttp -55.71 -50.95 68.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -58.47 -48.48 80.63 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 123.109 0.564 . . . . 0.0 111.016 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -53.88 -52.78 59.39 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 119.103 0.865 . . . . 0.0 109.365 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -55.42 -54.68 40.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.566 0.222 . . . . 0.0 110.425 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -53.53 -43.4 68.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.83 0.824 . . . . 0.0 109.681 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -60.34 -61.93 2.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -48.16 -51.01 26.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.596 1.159 . . . . 0.0 112.558 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.98 -24.71 22.34 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 115.311 1.596 . . . . 0.0 115.311 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -123.87 -34.04 3.06 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.718 1.145 . . . . 0.0 113.274 -173.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 39.5 t30 . . . . . 0 N--CA 1.464 0.231 0 CA-C-N 119.557 1.071 . . . . 0.0 108.389 177.527 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -91.79 143.81 10.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.566 0.746 . . . . 0.0 111.768 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 t -63.23 122.14 15.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.221 1.808 . . . . 0.0 110.839 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.45 -33.33 13.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 126.64 1.976 . . . . 0.0 113.634 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.37 75.47 0.54 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.681 0.793 . . . . 0.0 110.423 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.21 128.94 4.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.712 1.205 . . . . 0.0 109.799 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 106.07 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 128.806 2.842 . . . . 0.0 109.136 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -58.86 -43.63 90.86 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 109.975 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.32 23.37 66.39 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.011 0.815 . . . . 0.0 114.713 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.57 149.7 26.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.54 144.19 22.58 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -146.01 149.68 34.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.389 0.541 . . . . 0.0 111.294 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -71.27 -47.71 55.31 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.118 0.967 . . . . 0.0 112.924 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.06 136.26 33.11 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.193 -0.317 . . . . 0.0 110.628 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -54.32 -47.6 72.3 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 119.317 -0.373 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.3 p-90 -55.76 -39.35 71.08 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.42 0.688 . . . . 0.0 111.204 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -66.15 -46.3 77.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.8 -41.16 95.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.981 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -58.65 -47.05 85.74 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.277 0.944 . . . . 0.0 109.788 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.41 77.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -61.67 -55.58 28.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.209 174.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -47.53 -38.52 14.24 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.163 0.985 . . . . 0.0 112.549 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 p -50.19 -33.1 18.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.62 0.645 . . . . 0.0 111.444 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -54.5 -43.18 71.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.362 0.665 . . . . 0.0 111.457 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -90.58 -51.1 5.57 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 111.308 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 p -76.7 -31.53 57.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.047 1.339 . . . . 0.0 113.84 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.95 8.63 78.5 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -171.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 147.26 33.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.789 1.294 . . . . 0.0 110.864 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -134.82 76.87 58.69 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -47.39 -24.49 4.09 Favored 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.53 4.153 . . . . 0.0 119.208 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.64 83.82 5.94 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 119.498 1.045 . . . . 0.0 111.859 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.57 152.0 33.19 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.465 2.11 . . . . 0.0 111.346 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.4 t -80.14 -16.93 53.85 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.975 0.91 . . . . 0.0 112.179 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 70.54 -50.17 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.437 1.895 . . . . 0.0 114.14 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -39.86 132.1 1.79 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.769 1.628 . . . . 0.0 113.154 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -56.71 139.51 50.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.8 -65.03 2.94 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.73 48.78 0.84 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.021 0.928 . . . . 0.0 110.108 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -82.89 60.54 5.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.61 160.22 28.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.522 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.07 108.88 1.08 Allowed Glycine 0 C--N 1.334 0.446 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -105.69 150.02 25.85 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.135 0.967 . . . . 0.0 109.635 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -88.61 -9.05 53.53 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.967 0.907 . . . . 0.0 112.664 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -150.05 148.76 29.4 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.702 0.683 . . . . 0.0 110.391 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.2 -37.0 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -49.51 76.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 122.0 -0.437 . . . . 0.0 110.479 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -62.09 -39.5 92.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.134 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.22 -40.37 81.49 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.621 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m -61.99 -49.2 77.0 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.575 -0.703 . . . . 0.0 109.825 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -59.8 -43.87 94.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.946 0.794 . . . . 0.0 109.762 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.17 -43.36 78.31 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.752 -0.592 . . . . 0.0 109.717 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -20.53 11.68 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.3 mt -56.25 -35.04 66.95 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.403 1.001 . . . . 0.0 109.634 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -68.57 -35.23 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -76.9 -47.29 21.55 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.6 p -67.96 -28.98 67.93 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.493 0.317 . . . . 0.0 110.769 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.74 30.24 48.96 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -79.51 45.95 0.71 Allowed 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.736 -0.861 . . . . 0.0 111.973 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -81.25 64.7 6.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.402 1.481 . . . . 0.0 107.982 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -115.94 7.37 14.4 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -76.13 85.05 2.98 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 119.647 1.112 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 m -77.82 122.3 25.24 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.054 2.142 . . . . 0.0 111.835 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 t -59.98 119.98 8.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 173.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.56 73.15 1.95 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 122.561 0.344 . . . . 0.0 110.177 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -152.5 116.62 4.91 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.39 138.75 26.36 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.02 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.98 -59.64 4.49 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.07 46.02 0.57 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.505 1.122 . . . . 0.0 110.113 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.12 52.1 2.11 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.928 -1.107 . . . . 0.0 109.456 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.5 128.85 37.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -100.68 119.47 38.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 108.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.07 161.92 13.26 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.948 0.899 . . . . 0.0 111.025 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 p -67.95 -50.92 53.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.032 1.333 . . . . 0.0 111.064 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 p -118.08 155.12 30.92 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.701 0.762 . . . . 0.0 110.527 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -57.98 -42.57 85.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.242 175.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.23 92.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.552 -0.718 . . . . 0.0 111.201 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.13 -46.34 88.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.313 0.96 . . . . 0.0 108.933 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.7 ttp -56.21 -48.37 76.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.87 0.468 . . . . 0.0 110.249 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -58.41 -52.31 66.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.244 0.617 . . . . 0.0 110.172 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -54.74 -45.46 74.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.752 0.705 . . . . 0.0 110.119 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -58.87 -53.63 56.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.994 -0.441 . . . . 0.0 110.001 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.71 -42.83 71.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.027 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -58.56 -64.86 0.78 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -47.99 -52.74 18.63 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.723 1.209 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -88.2 -24.98 23.14 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -124.67 -42.1 2.09 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.504 1.047 . . . . 0.0 112.933 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.352 0 CA-C-N 119.626 1.103 . . . . 0.0 110.038 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 14' ' ' ILE . 2.1 mp -86.81 142.03 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 123.991 0.916 . . . . 0.0 110.015 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -61.74 125.89 25.41 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.209 1.403 . . . . 0.0 111.111 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.95 -43.21 13.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.083 1.753 . . . . 0.0 112.308 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -74.97 67.64 1.71 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.3 -61.01 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.379 2.672 . . . . 0.0 115.133 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.26 -37.08 3.03 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.837 1.655 . . . . 0.0 113.219 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -54.08 -35.0 61.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.58 1.552 . . . . 0.0 111.527 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.77 57.54 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.245 0.926 . . . . 0.0 113.526 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.67 150.99 20.34 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.39 147.78 25.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -143.69 152.95 41.96 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 118.093 0.406 . . . . 0.0 111.938 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -39.33 -56.06 1.62 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 127.189 2.195 . . . . 0.0 115.919 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -125.6 160.48 29.5 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -49.11 -54.0 18.14 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.779 1.632 . . . . 0.0 110.566 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -55.14 -42.38 72.98 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.347 0.659 . . . . 0.0 110.944 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -67.71 -43.48 79.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 30' ' ' LEU . 23.4 tp -59.53 -41.11 89.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.949 177.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.02 -45.89 91.28 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.956 0.798 . . . . 0.0 109.769 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.164 -0.335 . . . . 0.0 110.433 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -63.91 -55.82 19.82 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.743 -0.598 . . . . 0.0 109.566 174.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -52.01 -30.71 26.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.539 1.136 . . . . 0.0 111.914 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 p -54.63 -31.13 56.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.36 0.982 . . . . 0.0 110.885 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -63.24 -33.29 75.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.134 0.573 . . . . 0.0 111.212 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.75 -49.66 6.51 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.657 0.783 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.8 p -88.69 -30.71 18.92 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.843 1.657 . . . . 0.0 115.323 -171.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.81 7.18 88.85 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -172.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.82 133.18 38.25 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.054 1.427 . . . . 0.0 110.639 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -130.44 81.93 66.67 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -52.28 -20.85 12.02 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 125.286 3.99 . . . . 0.0 118.722 -173.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -113.02 76.88 2.44 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 119.777 1.171 . . . . 0.0 111.561 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.33 142.49 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.028 2.486 . . . . 0.0 110.212 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.56 -17.72 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.068 1.347 . . . . 0.0 112.273 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 71.53 -44.95 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.511 1.924 . . . . 0.0 114.292 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -43.14 133.84 3.77 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.526 1.13 . . . . 0.0 112.748 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.36 134.73 56.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.1 -63.29 3.25 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.96 46.19 0.57 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.445 1.098 . . . . 0.0 110.356 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.01 60.03 5.99 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -65.62 137.67 57.5 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.23 91.82 1.11 Allowed Glycine 0 CA--C 1.52 0.348 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -90.47 156.44 18.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.841 0.821 . . . . 0.0 110.016 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -100.8 -7.9 23.19 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -148.86 156.68 42.66 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.287 0.948 . . . . 0.0 109.324 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.11 -43.31 95.7 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -61.64 -48.56 80.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.631 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -53.74 -48.04 70.05 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.1 -40.35 89.31 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.188 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -62.49 -52.71 62.41 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.469 -0.769 . . . . 0.0 110.12 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -58.82 -38.45 78.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.177 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -58.99 -49.86 76.3 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.909 -0.494 . . . . 0.0 110.793 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -24.8 27.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -52.14 -31.93 33.39 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.69 0.677 . . . . 0.0 110.888 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -65.54 -29.77 70.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.591 0.356 . . . . 0.0 111.523 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.65 -48.24 15.44 Favored 'General case' 0 CA--C 1.522 -0.129 0 C-N-CA 124.055 0.942 . . . . 0.0 109.277 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -71.74 -25.06 61.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.53 32.54 46.39 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.22 58.03 2.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.9 0.857 . . . . 0.0 111.267 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.51 77.26 5.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -121.29 -3.71 9.46 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -169.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -76.8 87.48 3.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 119.448 1.022 . . . . 0.0 108.394 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.59 117.69 19.26 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.824 2.05 . . . . 0.0 111.265 -173.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.07 116.54 4.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.72 74.56 2.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -148.89 113.52 5.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.76 132.37 26.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.63 0.772 . . . . 0.0 110.76 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.48 -56.82 4.9 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.6 t -77.87 46.13 0.55 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.5 1.12 . . . . 0.0 109.96 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.58 51.47 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 120.819 -1.176 . . . . 0.0 109.368 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.69 134.46 48.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -102.41 125.83 49.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -110.72 164.08 13.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.163 0.985 . . . . 0.0 111.296 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -68.04 -39.03 83.16 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.033 1.733 . . . . 0.0 113.038 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 p -136.74 163.41 30.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.234 0.925 . . . . 0.0 110.144 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -57.99 -38.79 76.77 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.26 85.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.736 -0.603 . . . . 0.0 111.509 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -59.89 -48.1 83.07 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.4 ttp -54.32 -49.69 69.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.373 0.669 . . . . 0.0 110.029 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -59.97 -48.33 82.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.419 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.45 -50.12 65.95 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.693 1.133 . . . . 0.0 109.677 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -56.41 -54.09 49.72 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.14 -42.63 69.74 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.998 0.904 . . . . 0.0 110.536 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -60.88 -61.67 2.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -52.9 -43.77 66.44 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.643 1.577 . . . . 0.0 113.474 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.32 -24.29 17.47 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -128.99 -46.04 1.25 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.571 1.078 . . . . 0.0 113.366 -173.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.357 0 CA-C-N 119.234 0.925 . . . . 0.0 112.131 -174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -87.36 148.28 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.362 1.465 . . . . 0.0 111.454 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -66.87 126.0 27.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.902 2.081 . . . . 0.0 110.039 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -40.01 -43.43 1.56 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 126.811 2.044 . . . . 0.0 113.356 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -75.67 62.35 1.46 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.306 1.042 . . . . 0.0 109.484 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.35 -65.89 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 129.2 3.0 . . . . 0.0 115.626 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.0 -36.67 1.64 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.072 1.749 . . . . 0.0 113.106 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -52.53 -35.57 53.71 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.672 1.589 . . . . 0.0 111.939 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 18.08 61.34 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.936 0.779 . . . . 0.0 114.758 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.06 140.16 32.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.58 148.19 27.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.422 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -143.22 -50.07 0.33 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 104.55 -41.42 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 128.338 2.655 . . . . 0.0 112.263 -177.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -75.59 116.05 15.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -47.74 -51.91 20.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.436 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -53.42 -44.38 68.72 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.341 0.656 . . . . 0.0 111.109 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.52 -48.14 73.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -177.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.67 -42.16 96.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.826 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.35 -47.37 86.36 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.84 0.746 . . . . 0.0 109.686 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -37.16 71.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.125 0.57 . . . . 0.0 110.169 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -66.7 -56.75 9.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -47.05 -39.66 13.37 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.105 0.962 . . . . 0.0 112.256 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -51.3 -32.12 23.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.487 0.585 . . . . 0.0 111.985 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -60.06 -35.58 75.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.916 0.486 . . . . 0.0 110.86 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.43 -51.15 5.42 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.063 0.945 . . . . 0.0 111.333 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.4 p -80.35 -31.56 37.93 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.049 1.74 . . . . 0.0 114.47 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.97 7.22 87.56 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 119.508 -0.607 . . . . 0.0 111.597 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.68 139.08 38.55 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.051 1.425 . . . . 0.0 110.671 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -128.4 83.46 66.08 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 124.441 1.096 . . . . 0.0 109.444 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -50.3 -27.39 17.81 Favored 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 125.638 4.225 . . . . 0.0 118.617 -175.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.03 83.12 1.24 Allowed Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 119.299 0.954 . . . . 0.0 111.325 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.69 149.73 49.24 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.374 2.049 . . . . 0.0 110.608 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.52 -18.62 47.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.492 0.717 . . . . 0.0 111.738 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.3 -43.18 0.48 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.64 1.976 . . . . 0.0 115.479 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -43.55 135.41 3.71 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.485 1.114 . . . . 0.0 112.641 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.23 137.21 57.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.19 -64.36 3.15 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.55 46.43 0.64 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.376 1.07 . . . . 0.0 110.123 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -84.43 60.3 5.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.239 -0.913 . . . . 0.0 108.678 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -68.66 167.11 15.87 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.067 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.34 114.96 2.04 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 106.823 -2.511 . . . . 0.0 106.823 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -111.61 151.51 28.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.025 0.93 . . . . 0.0 109.92 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.89 -1.92 41.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -174.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.6 p -154.47 155.69 35.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.513 1.051 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.44 -46.19 89.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -61.9 -43.67 98.36 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.389 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -46.16 80.66 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.577 0.626 . . . . 0.0 109.567 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.1 -42.31 94.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.786 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.6 m -59.08 -53.54 57.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.044 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 -57.76 -41.07 81.2 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.262 0.937 . . . . 0.0 110.281 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.2 -49.96 74.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.123 0.419 . . . . 0.0 110.589 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 p -58.03 -19.93 35.06 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.09 -32.44 68.07 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.45 -0.781 . . . . 0.0 109.644 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -65.11 -34.49 78.53 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.07 0.395 . . . . 0.0 111.149 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.6 -51.84 8.76 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.628 0.771 . . . . 0.0 109.79 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.5 p -68.06 -30.22 69.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.263 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.01 19.72 66.72 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.103 0.859 . . . . 0.0 111.527 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -78.46 55.19 1.56 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.115 0.958 . . . . 0.0 111.419 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.33 67.65 5.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.461 1.904 . . . . 0.0 106.113 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -102.63 -4.71 24.76 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -75.51 84.92 2.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 119.297 0.953 . . . . 0.0 109.337 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -79.95 123.23 27.6 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.979 2.112 . . . . 0.0 111.173 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.1 120.34 9.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -76.48 66.7 2.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.788 0.835 . . . . 0.0 110.5 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 t -145.51 116.12 7.66 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.85 139.67 26.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.882 0.473 . . . . 0.0 109.972 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.22 -60.61 4.47 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 108.788 -1.725 . . . . 0.0 108.788 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.34 48.95 0.8 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.981 0.912 . . . . 0.0 109.861 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -83.19 52.48 2.2 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.944 -1.097 . . . . 0.0 109.072 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.28 131.63 45.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -94.73 136.69 34.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.96 159.13 27.58 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.066 0.946 . . . . 0.0 110.164 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 p -72.12 -32.52 67.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.257 1.023 . . . . 0.0 112.787 -178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -137.38 158.1 45.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.925 0.784 . . . . 0.0 110.592 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -56.88 -43.97 81.82 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.266 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.94 -45.22 93.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.603 1.092 . . . . 0.0 109.214 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.1 ttp -55.2 -48.17 74.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.858 0.463 . . . . 0.0 109.801 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -60.72 -47.64 85.38 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.861 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.96 -51.33 61.84 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 119.802 1.183 . . . . 0.0 109.044 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -55.87 -54.07 49.09 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.365 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.73 -43.9 66.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.846 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -66.8 0.46 Allowed 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.271 1.028 . . . . 0.0 108.511 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -45.58 -36.49 4.73 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.331 1.852 . . . . 0.0 113.453 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -105.25 -65.56 1.04 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -175.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -78.71 -35.68 44.55 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -171.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.168 0 CA-C-N 119.392 0.996 . . . . 0.0 108.969 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.1 mt -92.68 142.92 12.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.471 0.708 . . . . 0.0 110.913 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 132.56 54.03 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.626 1.17 . . . . 0.0 110.647 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 p -55.21 -42.67 73.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.287 1.435 . . . . 0.0 111.567 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -75.28 65.2 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.206 1.002 . . . . 0.0 109.887 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.02 -63.48 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 129.227 3.011 . . . . 0.0 115.4 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.35 -38.11 2.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.866 1.666 . . . . 0.0 112.969 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -53.8 -35.99 61.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.345 1.458 . . . . 0.0 111.987 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.83 25.3 58.89 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.34 0.971 . . . . 0.0 113.792 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.36 24.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.931 0.865 . . . . 0.0 108.792 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.51 144.99 24.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.65 141.23 29.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.545 0.611 . . . . 0.0 112.332 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 0.55 0.13 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 118.117 2.636 . . . . 0.0 118.117 -174.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 150.93 29.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.109 1.322 . . . . 0.0 111.525 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -55.47 -56.47 19.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.89 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -53.59 -41.85 67.03 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.971 0.908 . . . . 0.0 110.708 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -61.49 -50.47 72.61 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.35 -38.07 85.6 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.289 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.37 -47.42 81.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 119.944 1.247 . . . . 0.0 110.003 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.76 -45.67 78.03 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -59.05 -53.87 53.55 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.352 -0.843 . . . . 0.0 110.559 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -54.2 -31.97 54.41 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.901 0.88 . . . . 0.0 111.953 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.1 p -54.24 -30.89 51.85 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.395 0.998 . . . . 0.0 110.736 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -58.88 -41.68 87.71 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.231 0.613 . . . . 0.0 111.258 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -86.0 -50.38 7.1 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.515 0.726 . . . . 0.0 111.368 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -84.28 -29.95 26.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -171.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.24 8.59 83.65 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.77 150.7 32.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.807 1.303 . . . . 0.0 111.062 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -134.99 77.4 56.37 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -48.25 -22.01 3.5 Favored 'Trans proline' 0 C--N 1.346 0.407 1 C-N-CA 125.786 4.324 . . . . 0.0 119.223 -173.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.67 79.58 2.5 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 119.592 1.087 . . . . 0.0 111.484 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -73.02 143.99 37.24 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.494 2.129 . . . . 0.0 110.342 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -77.21 -10.38 59.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.973 1.309 . . . . 0.0 113.672 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm 71.65 -53.86 0.68 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.079 1.752 . . . . 0.0 113.754 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -41.71 131.55 3.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.846 1.658 . . . . 0.0 113.391 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.19 138.82 57.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.24 -63.99 3.21 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.49 45.29 0.56 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.715 1.206 . . . . 0.0 109.597 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -84.31 59.22 5.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.226 -0.921 . . . . 0.0 108.65 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -65.91 157.49 30.5 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.88 105.48 1.0 Allowed Glycine 0 C--N 1.333 0.395 0 N-CA-C 106.706 -2.558 . . . . 0.0 106.706 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.8 148.7 24.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.977 0.888 . . . . 0.0 110.536 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 p -91.53 -10.88 39.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.411 1.084 . . . . 0.0 111.947 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.3 p -143.95 150.1 37.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.726 0.693 . . . . 0.0 111.081 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.48 -40.68 87.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -57.36 -50.89 71.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.157 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.18 -40.42 89.92 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.248 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.64 -43.12 99.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.408 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -61.73 -53.13 60.17 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.51 0.724 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -61.39 -41.02 96.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -54.7 -47.04 74.18 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.786 -0.571 . . . . 0.0 109.59 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -54.32 -25.51 24.34 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.14 -32.45 62.11 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.246 0.93 . . . . 0.0 110.311 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 p -66.46 -30.82 71.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.976 0.353 . . . . 0.0 110.994 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.06 -49.13 13.16 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.017 0.927 . . . . 0.0 109.339 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.5 p -73.06 -23.38 60.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.94 26.61 59.99 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -80.32 49.11 1.09 Allowed 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.675 -0.897 . . . . 0.0 111.92 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -79.09 62.73 3.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.657 1.983 . . . . 0.0 108.317 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -104.01 5.22 35.27 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -76.12 85.59 2.98 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 120.247 1.385 . . . . 0.0 108.843 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.7 m -78.0 124.48 28.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.659 1.984 . . . . 0.0 111.522 -173.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.4 t -65.08 118.76 9.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.66 73.54 2.01 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -150.48 110.73 4.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.31 132.52 24.44 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.794 0.838 . . . . 0.0 110.964 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.7 -56.22 4.91 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.1 t -77.85 44.59 0.47 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.072 1.349 . . . . 0.0 109.737 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -84.31 52.66 2.4 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 120.837 -1.164 . . . . 0.0 109.763 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.34 134.99 53.72 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -105.98 120.22 41.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 124.072 0.949 . . . . 0.0 108.496 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -108.25 167.18 10.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.211 1.004 . . . . 0.0 111.681 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -68.49 -46.46 69.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.535 1.534 . . . . 0.0 113.139 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 p -132.86 162.95 30.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.265 0.939 . . . . 0.0 109.962 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.55 -51.07 51.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.304 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 -30.69 70.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -62.97 -49.58 74.17 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -57.41 -42.95 83.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.85 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.32 -53.65 54.04 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.015 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -50.53 -52.2 40.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.235 0.925 . . . . 0.0 109.456 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -55.72 -55.59 30.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.563 0.22 . . . . 0.0 110.469 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -51.79 -43.53 63.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.574 0.75 . . . . 0.0 110.11 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -63.28 -61.05 2.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.666 0.786 . . . . 0.0 109.584 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -50.68 -40.96 55.06 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.496 1.119 . . . . 0.0 113.178 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -99.66 -19.87 16.59 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -134.02 -63.15 0.74 Allowed 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 119.867 1.212 . . . . 0.0 110.188 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.149 0 CA-C-N 118.667 0.667 . . . . 0.0 111.206 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.55 143.93 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.59 122.97 16.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.363 1.465 . . . . 0.0 110.444 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -45.87 -40.4 9.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 126.392 1.877 . . . . 0.0 112.842 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -75.58 63.66 1.56 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.247 1.019 . . . . 0.0 109.534 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.88 -65.8 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 129.182 2.993 . . . . 0.0 115.494 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.37 -37.38 2.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 113.094 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.2 t -54.18 -35.74 62.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.15 1.38 . . . . 0.0 112.131 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.79 25.59 61.63 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.158 0.885 . . . . 0.0 114.256 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.51 146.11 24.36 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.125 0.963 . . . . 0.0 108.477 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.24 146.88 24.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -147.75 153.07 38.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.558 0.617 . . . . 0.0 110.871 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -73.98 -48.74 28.29 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.176 0.99 . . . . 0.0 112.424 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -84.74 131.46 34.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.843 -0.536 . . . . 0.0 110.101 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.86 -45.35 70.96 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.217 -0.302 . . . . 0.0 110.82 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -56.6 -38.27 71.81 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.332 0.653 . . . . 0.0 111.596 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -63.4 -48.97 75.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.05 -38.22 85.4 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.293 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -60.14 -48.23 82.61 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 119.606 1.094 . . . . 0.0 109.602 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.89 -47.03 74.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.25 -56.93 15.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.807 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -52.36 -31.85 35.6 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.558 1.143 . . . . 0.0 112.291 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 p -53.05 -31.95 44.2 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.073 0.851 . . . . 0.0 111.134 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.17 -40.38 81.31 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.38 0.536 . . . . 0.0 111.573 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.09 -48.04 7.68 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.258 0.623 . . . . 0.0 111.341 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -83.2 -30.31 27.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.38 83.92 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -172.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -79.09 144.36 34.65 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.797 1.298 . . . . 0.0 110.917 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -132.53 78.07 68.28 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -49.29 -24.05 7.84 Favored 'Trans proline' 0 C--N 1.346 0.413 1 C-N-CA 125.322 4.015 . . . . 0.0 118.56 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.31 79.61 3.98 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 119.595 1.089 . . . . 0.0 111.174 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.91 149.17 36.74 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.15 1.9 . . . . 0.0 110.505 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.5 t -82.42 127.12 32.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -77.38 -7.16 55.65 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -172.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -65.1 120.39 12.57 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.888 0.767 . . . . 0.0 110.314 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.11 69.97 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.199 1.4 . . . . 0.0 111.043 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 162.15 -61.5 0.28 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.3 -2.72 . . . . 0.0 106.3 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.9 t -79.62 56.34 2.2 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -80.98 62.33 4.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.855 0.862 . . . . 0.0 109.681 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -68.31 161.82 26.52 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.05 103.96 0.8 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -103.13 148.59 25.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.286 1.043 . . . . 0.0 109.13 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 p -90.91 -5.81 54.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.561 0.745 . . . . 0.0 112.425 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -150.58 144.2 25.14 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.749 0.704 . . . . 0.0 111.025 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.5 tp -56.59 -41.15 76.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -49.69 71.95 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.38 -42.99 98.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -58.04 -41.18 82.67 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -59.97 -55.3 35.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.344 0.658 . . . . 0.0 109.973 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -62.15 -39.53 92.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.027 -1.069 . . . . 0.0 110.933 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.78 -45.12 70.58 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.557 -0.715 . . . . 0.0 109.881 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 m -54.81 -23.54 18.73 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.9 -33.21 55.92 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.385 0.993 . . . . 0.0 110.434 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -65.44 -31.33 72.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.429 0.292 . . . . 0.0 111.264 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.72 -48.91 12.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.099 0.959 . . . . 0.0 109.59 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -69.89 -24.67 63.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.378 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.73 32.5 57.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.34 45.65 0.67 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.942 -0.74 . . . . 0.0 111.909 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -79.22 66.65 4.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.327 1.851 . . . . 0.0 108.637 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -110.88 3.83 19.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -75.91 85.22 2.84 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 119.853 1.206 . . . . 0.0 110.165 -175.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.4 m -75.37 119.65 19.76 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.776 2.03 . . . . 0.0 112.255 -173.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.5 t -58.39 120.41 8.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.417 1.087 . . . . 0.0 108.122 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -76.17 71.76 2.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -152.05 116.75 5.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.11 139.95 27.11 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.999 0.519 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.51 4.37 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.17 48.79 0.77 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.992 0.917 . . . . 0.0 109.802 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -83.25 53.51 2.5 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.946 -1.096 . . . . 0.0 109.362 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.79 126.24 29.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -98.33 120.16 38.26 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -108.99 173.82 6.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.807 1.243 . . . . 0.0 113.13 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.4 p -72.96 -48.06 39.97 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.186 2.194 . . . . 0.0 113.736 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.4 p -136.15 159.94 40.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.911 1.232 . . . . 0.0 109.413 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -57.17 -30.42 64.46 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.904 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.57 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.146 1.339 . . . . 0.0 111.086 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -60.15 -46.41 89.76 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.6 ttp -56.3 -51.48 68.04 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.689 0.796 . . . . 0.0 111.264 178.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -58.59 -54.1 50.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.63 0.772 . . . . 0.0 109.373 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -52.22 -52.64 51.1 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.409 0.55 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -55.52 -54.54 42.69 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.914 0.325 . . . . 0.0 110.177 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -53.9 -44.93 70.92 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.913 0.485 . . . . 0.0 110.654 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.25 -66.16 0.53 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -46.95 -38.05 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.084 2.154 . . . . 0.0 113.136 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -99.95 -70.47 0.73 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.914 0.886 . . . . 0.0 113.001 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.43 -38.0 50.47 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.137 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.316 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.45 143.14 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 118.402 0.546 . . . . 0.0 111.382 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.7 t -58.64 127.85 34.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.83 1.652 . . . . 0.0 110.562 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.23 -45.03 5.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.601 1.961 . . . . 0.0 112.737 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.81 64.32 1.77 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.069 0.948 . . . . 0.0 109.737 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.57 -64.55 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.833 2.853 . . . . 0.0 115.426 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -42.92 -37.97 2.04 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.082 1.753 . . . . 0.0 113.098 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -52.42 -36.63 54.74 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.641 1.576 . . . . 0.0 111.983 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.54 20.05 60.95 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.881 0.753 . . . . 0.0 114.007 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.24 146.26 26.61 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.18 141.45 20.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -145.97 145.33 30.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.056 0.942 . . . . 0.0 108.745 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -78.63 -36.21 44.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.6 130.51 34.46 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.782 -0.574 . . . . 0.0 109.886 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -54.13 -51.2 64.99 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.406 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -53.79 -40.88 66.67 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.339 0.655 . . . . 0.0 110.8 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.06 -44.5 79.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -39.49 94.73 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -62.39 -45.95 90.81 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.79 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -54.56 -54.53 40.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.434 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 mt -52.45 -32.85 41.55 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 117.971 -1.014 . . . . 0.0 112.402 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 p -49.7 -32.14 12.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.197 0.908 . . . . 0.0 111.544 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -55.05 -41.4 71.4 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.678 0.672 . . . . 0.0 111.319 176.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -90.8 -48.52 6.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.216 1.006 . . . . 0.0 111.835 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.1 p -93.02 -21.75 19.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.82 13.45 72.07 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -174.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.98 137.76 39.22 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.804 1.302 . . . . 0.0 109.914 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -132.89 80.64 60.21 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -46.77 -25.97 4.18 Favored 'Trans proline' 0 C--N 1.346 0.423 1 C-N-CA 125.692 4.262 . . . . 0.0 118.979 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.37 81.47 3.04 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 119.265 0.939 . . . . 0.0 111.538 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.25 146.66 28.59 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.184 1.923 . . . . 0.0 111.377 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.98 -28.11 43.49 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.216 0.606 . . . . 0.0 110.467 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 65.57 -31.96 0.15 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -45.04 139.68 3.08 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.496 1.118 . . . . 0.0 112.053 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -51.43 129.35 25.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.151 0.98 . . . . 0.0 109.299 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.38 -61.37 3.54 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.5 t -78.05 49.81 0.83 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.869 0.867 . . . . 0.0 111.215 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -82.54 62.8 6.38 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -69.82 162.07 28.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.563 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.92 102.92 0.64 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -97.56 147.45 24.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 118.214 1.007 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -89.69 -7.95 53.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.929 0.892 . . . . 0.0 112.665 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 p -147.76 153.67 39.53 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.414 1.006 . . . . 0.0 111.492 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.56 -40.99 84.63 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -57.1 -50.51 72.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -59.68 -41.5 90.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.165 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.6 -46.56 89.78 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.488 0.661 . . . . 0.0 110.472 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.0 m -60.18 -55.07 38.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.837 0.855 . . . . 0.0 110.636 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -60.93 -40.93 95.09 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -56.09 -43.18 77.8 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.688 -0.632 . . . . 0.0 109.747 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -56.99 -21.6 31.89 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.77 -30.73 70.99 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.276 -0.89 . . . . 0.0 109.678 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 p -69.19 -34.35 74.78 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.337 0.517 . . . . 0.0 111.034 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -76.45 -50.32 14.37 Favored 'General case' 0 C--N 1.339 0.13 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.4 p -70.12 -26.46 63.97 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.03 21.92 69.8 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.531 1.063 . . . . 0.0 111.23 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.07 56.97 2.11 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.843 0.821 . . . . 0.0 112.236 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -76.44 72.13 3.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.084 1.754 . . . . 0.0 108.232 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -105.55 -2.79 23.15 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -75.98 87.23 2.91 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 120.476 1.489 . . . . 0.0 109.348 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.76 119.35 21.15 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.753 2.021 . . . . 0.0 111.391 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.39 115.74 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -74.43 74.42 1.91 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 t -148.26 112.6 5.27 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.55 131.05 21.11 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.947 0.899 . . . . 0.0 110.98 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.38 -55.97 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.64 45.08 0.48 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.823 1.249 . . . . 0.0 109.973 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.16 51.48 2.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 120.868 -1.145 . . . . 0.0 109.733 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.36 136.58 53.6 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.33 125.76 49.14 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -108.43 161.29 15.17 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.614 1.166 . . . . 0.0 111.802 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.7 -44.41 77.76 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.238 1.415 . . . . 0.0 112.208 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -131.55 160.49 35.11 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.165 0.586 . . . . 0.0 110.462 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -59.72 -44.75 93.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.13 -35.0 79.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.46 -0.775 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.79 -44.98 91.74 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.464 1.029 . . . . 0.0 109.011 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.3 ttp -54.84 -48.48 72.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -60.73 -47.82 84.55 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.8 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.96 -51.13 62.51 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 119.942 1.246 . . . . 0.0 109.034 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -56.27 -54.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.65 -44.12 69.35 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.835 0.826 . . . . 0.0 110.35 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.28 -64.3 1.0 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.5 ttm105 -47.64 -46.82 29.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.79 1.636 . . . . 0.0 112.691 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -90.2 -35.06 15.57 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -114.57 -39.06 3.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.166 0.894 . . . . 0.0 113.209 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 CA-C-N 119.109 0.868 . . . . 0.0 110.962 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 103.676 -2.712 . . . . 0.0 103.676 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mt -110.54 142.01 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.635 0.774 . . . . 0.0 110.405 -176.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -65.96 115.82 6.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.598 1.159 . . . . 0.0 109.122 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.05 -33.04 10.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.368 1.867 . . . . 0.0 114.399 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -74.65 57.26 0.74 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.328 1.051 . . . . 0.0 112.486 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 8.85 -77.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.874 3.269 . . . . 0.0 116.39 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.6 -40.69 20.0 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 125.111 1.365 . . . . 0.0 111.893 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -83.74 69.29 10.16 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 52.24 0.52 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 127.262 2.363 . . . . 0.0 113.248 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.43 146.7 26.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.44 142.68 20.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -151.65 146.68 25.98 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.194 0.452 . . . . 0.0 110.35 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -39.41 75.17 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.883 0.473 . . . . 0.0 110.479 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -78.39 111.46 14.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.352 0.596 . . . . 0.0 111.588 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -40.74 -57.61 1.86 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.091 1.757 . . . . 0.0 110.429 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -53.7 -40.28 65.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.243 1.017 . . . . 0.0 112.467 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -66.03 -46.89 76.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.36 -37.59 87.86 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -60.59 -49.3 78.07 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.799 1.182 . . . . 0.0 109.251 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -43.56 74.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 109.905 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -60.83 -58.28 9.1 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.6 -37.44 49.96 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.753 -0.592 . . . . 0.0 111.972 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -55.27 -30.21 59.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.145 0.43 . . . . 0.0 111.786 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -57.01 -37.35 71.57 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.028 0.376 . . . . 0.0 110.382 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.0 -52.62 4.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.857 0.863 . . . . 0.0 111.521 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -79.55 -29.7 41.46 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.141 1.377 . . . . 0.0 114.526 -172.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.46 6.73 84.6 Favored Glycine 0 CA--C 1.536 1.389 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.29 127.35 31.96 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.154 1.477 . . . . 0.0 109.484 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -126.9 83.68 65.11 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 124.209 1.004 . . . . 0.0 109.432 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -51.54 -22.31 12.36 Favored 'Trans proline' 0 C--N 1.348 0.539 1 C-N-CA 125.807 4.338 . . . . 0.0 118.716 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.12 79.45 1.57 Allowed Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 119.569 1.077 . . . . 0.0 110.302 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -73.75 144.31 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.199 1.933 . . . . 0.0 110.452 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.9 t -86.47 89.64 7.96 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.97 46.01 0.22 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.39 139.21 31.4 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.142 1.777 . . . . 0.0 107.098 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.59 129.41 40.8 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.85 -55.28 3.46 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.1 53.08 0.94 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.811 1.245 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.67 65.24 4.78 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.558 0.743 . . . . 0.0 110.692 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.19 164.15 26.71 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 106.25 0.86 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 108.028 -2.029 . . . . 0.0 108.028 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.03 157.04 18.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.089 0.944 . . . . 0.0 109.665 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -102.78 -1.51 29.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.436 1.094 . . . . 0.0 112.844 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 p -154.25 150.27 27.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 118.847 0.748 . . . . 0.0 110.105 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.9 tp -59.92 -37.07 78.41 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.594 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -47.74 85.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.978 -0.451 . . . . 0.0 110.035 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -57.76 -48.7 78.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 tp -55.44 -40.41 71.53 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.1 m -59.87 -53.41 58.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.074 0.55 . . . . 0.0 109.638 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -62.27 -40.29 95.74 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -55.34 -45.22 76.45 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.551 -0.718 . . . . 0.0 109.891 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.6 m -57.79 -17.52 16.34 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.15 -32.92 71.49 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.048 -1.032 . . . . 0.0 109.345 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.9 p -65.2 -34.13 77.65 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.073 0.397 . . . . 0.0 110.832 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.09 -51.21 9.87 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.738 0.815 . . . . 0.0 109.762 -177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.4 p -69.74 -27.41 64.93 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.247 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.08 20.29 70.44 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.398 0.999 . . . . 0.0 111.41 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.37 52.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.149 0.975 . . . . 0.0 112.151 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -78.26 65.82 3.7 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.217 2.207 . . . . 0.0 107.836 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -102.61 1.28 34.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 -172.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -75.83 83.33 2.77 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 120.181 1.355 . . . . 0.0 109.489 -176.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -79.3 120.75 24.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.147 2.179 . . . . 0.0 110.725 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.71 108.16 1.11 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 172.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -73.76 72.02 1.49 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.957 0.408 . . . . 0.0 110.025 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.0 t -140.55 115.64 9.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.88 130.37 18.01 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 -177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.35 -56.08 4.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.77 44.71 0.47 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.782 1.233 . . . . 0.0 110.074 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.7 53.39 2.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.037 -1.039 . . . . 0.0 109.832 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.82 130.54 42.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.82 122.93 41.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.979 1.311 . . . . 0.0 108.782 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.73 160.26 17.47 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.939 0.895 . . . . 0.0 111.381 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.3 p -70.93 -33.96 71.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.12 1.368 . . . . 0.0 112.741 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 p -137.5 157.23 47.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.902 0.774 . . . . 0.0 110.517 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -57.03 -42.95 81.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.79 95.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.052 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.59 -46.05 91.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.369 0.986 . . . . 0.0 109.126 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.0 ttp -54.01 -49.33 69.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.116 0.566 . . . . 0.0 109.861 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.91 -47.62 85.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.984 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.42 -48.71 71.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.724 1.147 . . . . 0.0 109.262 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -56.78 -54.45 46.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -52.1 -43.16 63.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.152 0.977 . . . . 0.0 110.437 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.96 -62.99 1.4 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -50.15 -41.74 49.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.027 1.331 . . . . 0.0 113.645 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -100.17 -19.7 16.31 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -129.24 -48.93 1.19 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 119.864 1.211 . . . . 0.0 110.637 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.431 0 CA-C-N 119.28 0.946 . . . . 0.0 111.748 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -108.36 142.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.779 0.831 . . . . 0.0 109.816 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.2 t -61.49 119.03 7.78 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.655 1.182 . . . . 0.0 109.648 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -41.16 -42.35 2.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.928 2.091 . . . . 0.0 112.955 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -75.81 63.49 1.67 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.785 1.234 . . . . 0.0 109.104 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.03 -63.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 129.095 2.958 . . . . 0.0 115.405 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.38 -37.5 2.33 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.877 1.671 . . . . 0.0 113.095 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 t -54.65 -34.9 62.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.257 1.423 . . . . 0.0 112.065 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.04 15.36 60.42 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.13 0.871 . . . . 0.0 115.048 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.24 136.7 35.84 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.898 1.349 . . . . 0.0 108.294 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.05 142.36 20.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -153.78 147.71 25.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.327 0.651 . . . . 0.0 109.486 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -74.59 -29.5 61.34 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.638 -0.664 . . . . 0.0 110.661 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -78.54 111.84 15.0 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.889 0.475 . . . . 0.0 111.036 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -50.26 -51.74 42.13 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 124.205 1.002 . . . . 0.0 110.539 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 25.6 p-90 -52.77 -42.33 64.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.14 0.576 . . . . 0.0 110.303 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -70.25 -46.99 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.435 0.694 . . . . 0.0 110.73 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.22 -45.45 94.52 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -57.52 -46.66 83.56 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 -34.38 64.75 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 122.65 0.38 . . . . 0.0 110.489 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.52 -55.04 8.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.379 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -44.0 -39.78 4.32 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.929 0.892 . . . . 0.0 112.504 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 p -43.2 -39.52 2.96 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.12 0.568 . . . . 0.0 112.309 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -53.42 -44.7 68.97 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.922 0.889 . . . . 0.0 112.009 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -91.12 -47.78 7.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.675 0.79 . . . . 0.0 111.58 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -81.8 -28.3 33.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.05 11.34 85.26 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -172.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -76.69 130.54 37.91 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.874 1.337 . . . . 0.0 109.89 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -132.8 80.37 61.37 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.92 -27.12 26.82 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 124.834 3.689 . . . . 0.0 117.803 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -115.19 72.48 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.341 0.973 . . . . 0.0 112.594 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.45 162.04 36.54 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.518 2.145 . . . . 0.0 109.801 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -80.49 -13.61 58.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.611 1.564 . . . . 0.0 112.842 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.66 -47.38 0.67 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.697 1.599 . . . . 0.0 114.313 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -43.04 140.72 1.34 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.279 1.432 . . . . 0.0 112.958 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mp0 -55.09 130.01 40.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.95 -64.14 3.1 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.78 58.93 2.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.31 0.644 . . . . 0.0 109.853 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.67 -30.97 41.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.368 0.667 . . . . 0.0 109.694 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 44.77 -146.15 0.12 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.777 2.031 . . . . 0.0 111.379 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.77 81.65 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -93.01 153.98 18.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 p -93.45 -8.05 42.72 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 p -147.8 161.43 41.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.203 0.91 . . . . 0.0 108.864 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.1 -41.4 97.29 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -69.34 -38.25 78.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.236 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -56.57 -47.37 79.65 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 173.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.13 -38.73 90.07 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.3 m -60.88 -48.68 80.68 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.242 -0.912 . . . . 0.0 110.031 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -60.59 -41.37 94.57 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.801 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -55.43 -45.06 76.79 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.787 0.721 . . . . 0.0 109.973 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 m -55.79 -20.14 13.93 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.9 mt -59.96 -31.78 70.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.354 -0.841 . . . . 0.0 109.704 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.5 p -65.59 -36.35 83.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.257 0.48 . . . . 0.0 111.165 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -78.3 -51.22 10.45 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.813 0.445 . . . . 0.0 110.028 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.0 p -67.61 -27.87 67.26 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.75 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 23.08 71.59 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.089 0.852 . . . . 0.0 111.567 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -79.5 54.26 1.71 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.088 0.944 . . . . 0.0 111.9 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.52 68.06 3.55 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.82 2.448 . . . . 0.0 107.956 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.54 -2.99 21.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.29 85.52 2.47 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 119.975 1.261 . . . . 0.0 109.723 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -78.58 120.19 22.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.664 1.985 . . . . 0.0 110.684 -175.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.03 119.78 8.98 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -76.23 68.11 2.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.638 0.775 . . . . 0.0 109.905 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -143.17 116.08 8.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 132.3 29.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.66 0.784 . . . . 0.0 110.719 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.3 -56.74 4.88 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.75 45.68 0.52 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.699 1.199 . . . . 0.0 109.965 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.75 52.01 2.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 120.887 -1.133 . . . . 0.0 109.366 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.17 135.23 48.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -98.1 121.75 40.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.066 1.346 . . . . 0.0 108.745 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -108.51 159.64 16.53 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.874 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.43 -52.75 23.83 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.312 1.445 . . . . 0.0 111.817 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.1 p -120.42 157.35 29.5 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.346 0.521 . . . . 0.0 110.212 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -58.9 -40.49 84.65 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 174.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.49 90.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.57 -0.706 . . . . 0.0 111.346 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.03 -44.33 96.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 108.788 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.4 ttp -55.18 -47.97 74.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.53 -48.46 81.66 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.768 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -52.69 -50.97 62.25 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.955 1.252 . . . . 0.0 109.071 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -56.26 -54.05 49.95 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -54.87 -42.29 71.87 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.86 0.838 . . . . 0.0 110.302 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -60.66 -59.9 4.65 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -54.92 -42.95 72.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.563 1.545 . . . . 0.0 113.164 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -94.42 -27.55 15.97 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -125.66 -45.0 1.79 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 119.39 0.995 . . . . 0.0 113.133 -172.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 119.168 0.894 . . . . 0.0 111.899 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.45 147.56 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.191 0.997 . . . . 0.0 108.871 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -72.97 112.82 9.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.706 1.603 . . . . 0.0 108.566 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -41.88 -35.15 0.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.097 2.159 . . . . 0.0 113.563 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.01 81.58 0.31 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.949 0.9 . . . . 0.0 109.608 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 65.35 0.08 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.482 2.313 . . . . 0.0 110.499 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -164.28 -50.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 130.016 3.327 . . . . 0.0 104.394 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.1 t -70.61 -51.65 26.74 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.12 40.43 66.7 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.882 0.754 . . . . 0.0 114.527 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.23 167.39 20.36 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.95 148.88 15.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.393 -0.817 . . . . 0.0 108.929 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -148.7 154.05 39.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.507 0.594 . . . . 0.0 110.052 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -45.17 62.78 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -89.9 137.66 32.15 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -176.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.12 -50.12 70.03 Favored 'General case' 0 C--O 1.227 -0.111 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.546 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -52.82 -42.27 64.98 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.729 0.812 . . . . 0.0 111.304 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.03 -48.9 72.22 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.6 -36.26 83.23 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.154 -0.341 . . . . 0.0 110.098 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.25 -47.4 82.56 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 120.811 -1.18 . . . . 0.0 109.537 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.02 -46.0 75.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -57.46 -54.19 49.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.789 174.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -52.11 -32.29 34.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 118.491 -0.766 . . . . 0.0 112.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.6 p -54.06 -30.86 49.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.727 1.149 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -51.57 -45.19 62.99 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.86 -47.34 7.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 112.165 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 p -85.41 -27.78 25.54 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -172.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.44 12.39 80.11 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -173.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.04 144.27 38.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.896 1.348 . . . . 0.0 110.2 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -132.48 79.13 65.93 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 124.323 1.049 . . . . 0.0 108.189 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.82 -27.13 10.76 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 125.224 3.949 . . . . 0.0 118.484 -175.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.87 81.59 2.66 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 119.243 0.929 . . . . 0.0 111.507 -174.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.15 156.12 37.86 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 121.716 1.611 . . . . 0.0 110.518 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.2 t -89.28 -37.23 15.09 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 53.05 30.81 10.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.064 0.945 . . . . 0.0 113.357 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.82 163.67 15.57 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.471 0.653 . . . . 0.0 109.491 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -56.56 108.09 0.45 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.619 1.167 . . . . 0.0 108.769 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.71 -48.77 2.99 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.1 t -75.76 59.42 1.2 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.573 1.549 . . . . 0.0 110.298 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 59.76 5.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -66.82 162.03 22.49 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 122.046 -0.409 . . . . 0.0 110.477 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.75 105.72 0.79 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.05 149.69 24.32 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.364 1.082 . . . . 0.0 110.248 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -93.37 -1.9 55.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.065 0.946 . . . . 0.0 113.247 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 p -150.92 153.67 35.7 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.624 1.102 . . . . 0.0 111.442 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.31 -38.56 89.86 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -47.38 85.74 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -55.66 -48.45 75.0 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.68 -44.97 90.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 110.76 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 m -58.82 -56.61 20.01 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 110.316 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -60.97 -40.82 94.85 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.999 -0.438 . . . . 0.0 110.09 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -56.17 -44.3 79.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.592 -0.693 . . . . 0.0 109.856 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.3 m -56.42 -20.42 19.64 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -32.9 70.77 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.483 -0.76 . . . . 0.0 109.597 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 p -68.37 -34.13 75.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.014 0.37 . . . . 0.0 111.436 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.12 -48.81 19.27 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.3 p -69.35 -24.71 63.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.553 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.54 61.03 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.04 61.96 4.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 122.076 0.941 . . . . 0.0 111.862 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -78.63 68.41 4.6 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -99.21 -14.78 19.16 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -74.47 88.6 2.12 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.446 1.021 . . . . 0.0 110.27 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.81 125.5 29.44 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.605 1.962 . . . . 0.0 111.429 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.62 118.67 8.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -75.24 72.92 2.34 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 t -148.55 113.15 5.35 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.51 132.89 30.33 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.507 0.723 . . . . 0.0 110.679 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.27 -56.47 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.94 47.5 0.65 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.529 1.132 . . . . 0.0 109.826 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.92 51.12 1.97 Allowed 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 120.869 -1.145 . . . . 0.0 109.579 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.21 134.75 50.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.59 136.95 40.57 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -119.13 161.97 19.41 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -46.33 80.46 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.576 1.55 . . . . 0.0 112.041 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.6 p -129.68 160.34 33.65 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.164 0.506 . . . . 0.0 110.625 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.08 -50.7 70.29 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.995 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.78 78.92 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.47 -178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.53 -44.23 96.87 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.921 1.237 . . . . 0.0 109.002 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -57.16 -44.51 83.56 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.11 -49.99 75.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.105 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -51.61 -52.61 46.16 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 119.327 0.967 . . . . 0.0 109.05 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -56.13 -54.02 50.13 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.339 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.37 -44.44 65.28 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.457 0.646 . . . . 0.0 110.692 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -63.31 -57.16 11.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.13 0.972 . . . . 0.0 109.857 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.14 -35.28 66.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.952 2.101 . . . . 0.0 113.123 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -107.53 -21.11 13.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -130.39 -60.98 0.98 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 119.969 1.258 . . . . 0.0 110.526 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 O-C-N 121.677 -0.639 . . . . 0.0 110.816 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -100.1 142.54 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.342 0.657 . . . . 0.0 110.353 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.3 t -61.21 121.38 12.41 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 110.161 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -44.05 -40.97 5.18 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.663 1.985 . . . . 0.0 113.051 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.46 63.85 1.52 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 109.473 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.5 -65.17 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.075 2.95 . . . . 0.0 115.519 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.79 -36.99 2.51 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.894 1.677 . . . . 0.0 113.146 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.39 -34.88 62.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.418 1.487 . . . . 0.0 111.896 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.0 25.68 62.24 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.238 0.923 . . . . 0.0 114.304 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.61 143.11 27.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.35 145.49 24.61 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -148.32 151.24 35.02 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.33 0.652 . . . . 0.0 109.563 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -82.06 -38.05 25.51 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 109.926 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -77.42 120.09 21.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.7 -48.77 74.56 Favored 'General case' 0 N--CA 1.458 -0.046 0 O-C-N 122.089 -0.382 . . . . 0.0 110.287 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.61 -40.45 65.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.694 0.798 . . . . 0.0 111.317 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -66.46 -46.22 77.13 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 tp -60.46 -39.85 89.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.801 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -60.12 -47.51 85.62 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.605 1.093 . . . . 0.0 109.586 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.74 -37.71 71.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.241 0.616 . . . . 0.0 110.514 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.62 -59.05 3.66 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.798 -0.564 . . . . 0.0 109.487 175.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -49.39 -35.04 17.8 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 125.135 1.374 . . . . 0.0 112.016 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 p -51.56 -32.92 30.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.487 0.585 . . . . 0.0 111.474 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.49 -38.51 81.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.826 0.451 . . . . 0.0 111.494 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.53 -47.93 7.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.485 0.714 . . . . 0.0 111.234 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -85.22 -30.47 23.84 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -172.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.77 7.23 88.34 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -78.42 137.47 38.0 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.957 1.379 . . . . 0.0 110.766 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -132.03 79.94 65.88 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.669 1.188 . . . . 0.0 108.112 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.33 -20.77 12.04 Favored 'Trans proline' 0 C--N 1.347 0.486 1 C-N-CA 125.356 4.037 . . . . 0.0 118.278 -174.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.37 79.11 2.08 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 119.471 1.032 . . . . 0.0 110.356 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.23 148.76 31.05 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.404 2.069 . . . . 0.0 110.789 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.8 t -90.49 88.73 7.27 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -73.25 47.24 0.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -94.36 152.16 18.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.277 1.031 . . . . 0.0 108.833 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -62.9 130.53 45.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -57.61 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.8 t -77.3 52.12 0.9 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.445 1.098 . . . . 0.0 110.589 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.23 64.84 5.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.987 0.915 . . . . 0.0 109.958 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -74.05 166.42 23.42 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.039 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.99 109.51 0.99 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 108.248 -1.941 . . . . 0.0 108.248 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -112.75 158.64 19.84 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.878 0.839 . . . . 0.0 109.514 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 p -99.46 -9.99 22.72 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.6 p -148.19 157.59 43.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.211 0.914 . . . . 0.0 109.81 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.09 -41.13 82.82 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -60.02 -55.02 39.16 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.158 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -53.25 -43.31 67.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.625 0.648 . . . . 0.0 109.385 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.89 -44.95 94.71 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.933 -0.479 . . . . 0.0 111.246 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.8 m -62.11 -49.63 75.14 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.359 -0.838 . . . . 0.0 110.66 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -40.43 97.4 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -55.59 -44.55 77.05 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.419 -0.801 . . . . 0.0 109.44 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 m -57.7 -15.56 8.22 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.11 -34.3 70.06 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.76 1.164 . . . . 0.0 109.081 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -63.16 -31.77 73.0 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.284 0.234 . . . . 0.0 111.343 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -83.81 -52.77 6.11 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.962 0.905 . . . . 0.0 109.996 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.4 p -65.7 -30.12 70.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.178 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 24.97 66.21 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.723 0.678 . . . . 0.0 111.668 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.38 55.1 1.84 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.086 0.945 . . . . 0.0 110.775 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -78.78 67.6 4.55 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.206 2.203 . . . . 0.0 105.744 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -107.51 -6.51 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -75.33 87.06 2.52 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.033 0.833 . . . . 0.0 108.983 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.9 m -82.12 123.87 29.35 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 126.464 1.906 . . . . 0.0 110.504 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.0 t -61.96 115.34 3.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -74.57 72.08 1.9 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 109.976 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -148.19 116.95 6.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.76 135.06 30.06 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.456 0.703 . . . . 0.0 110.483 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.54 -59.16 4.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.34 48.02 0.73 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.67 0.788 . . . . 0.0 109.996 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.08 53.27 2.4 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 120.928 -1.108 . . . . 0.0 108.812 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.5 mt -71.38 129.66 39.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -94.59 131.2 40.6 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.42 1.088 . . . . 0.0 109.16 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -118.68 157.27 27.77 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 111.184 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -69.8 -55.25 10.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.589 1.155 . . . . 0.0 111.381 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.3 p -115.13 152.97 31.62 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.235 0.614 . . . . 0.0 109.907 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -57.34 -40.56 78.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.01 89.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.624 -0.672 . . . . 0.0 111.249 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.404 1.002 . . . . 0.0 108.984 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.7 ttp -55.08 -46.4 75.45 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -61.54 -47.86 83.62 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.787 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -53.34 -49.35 67.29 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 119.764 1.165 . . . . 0.0 109.393 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -56.33 -54.57 43.85 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -52.55 -46.06 66.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.183 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -57.96 -67.44 0.34 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.347 1.059 . . . . 0.0 108.88 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -49.57 -37.26 26.68 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.931 1.692 . . . . 0.0 113.574 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -98.44 -68.56 0.8 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.774 0.829 . . . . 0.0 112.484 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -78.0 -37.5 46.99 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.062 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.41 142.89 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.574 0.749 . . . . 0.0 109.687 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.41 120.33 10.27 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.617 1.167 . . . . 0.0 110.138 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.5 -42.67 3.39 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.811 2.045 . . . . 0.0 112.766 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -75.5 63.87 1.55 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.624 1.169 . . . . 0.0 109.31 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.42 -64.09 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 129.082 2.953 . . . . 0.0 115.452 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.05 -36.75 2.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.766 1.626 . . . . 0.0 113.201 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.5 t -55.02 -34.1 63.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.304 1.442 . . . . 0.0 111.866 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 22.32 62.44 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.496 1.046 . . . . 0.0 114.909 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.85 141.92 28.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.54 1.17 . . . . 0.0 108.907 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.45 144.98 21.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.732 -0.652 . . . . 0.0 109.382 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -154.42 148.5 25.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.504 0.593 . . . . 0.0 110.08 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -69.81 -53.01 20.22 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -72.95 113.16 9.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.516 0.674 . . . . 0.0 110.675 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -35.66 -56.01 0.68 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 127.372 2.269 . . . . 0.0 111.686 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -54.29 -37.64 65.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.428 1.091 . . . . 0.0 112.983 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -68.2 -46.12 71.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -38.63 91.84 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -59.72 -48.36 81.99 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.82 -1.175 . . . . 0.0 109.891 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.41 75.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -59.73 -54.76 42.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.949 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 mp -48.99 -41.66 35.15 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.51 -0.744 . . . . 0.0 112.347 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.8 p -50.82 -32.61 20.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.712 0.687 . . . . 0.0 111.875 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -55.39 -40.87 71.91 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.001 0.521 . . . . 0.0 110.949 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.97 -51.37 5.23 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.988 0.915 . . . . 0.0 111.618 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 p -77.68 -30.17 51.8 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.294 1.438 . . . . 0.0 114.138 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.87 9.84 79.88 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -78.04 144.65 36.43 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.898 1.349 . . . . 0.0 110.45 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -132.53 77.33 70.03 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 0.0 109.399 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.4 -25.1 9.74 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 125.131 3.887 . . . . 0.0 118.5 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.51 79.17 2.21 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 119.748 1.158 . . . . 0.0 112.391 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.93 148.34 45.36 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 121.962 1.775 . . . . 0.0 109.818 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.01 -6.64 48.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.976 0.91 . . . . 0.0 113.413 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 72.04 -46.72 0.65 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.354 1.862 . . . . 0.0 113.884 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -48.93 118.84 2.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.286 1.034 . . . . 0.0 111.734 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -73.06 65.54 0.78 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.708 1.603 . . . . 0.0 110.097 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.18 -68.73 0.1 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.3 t -79.76 55.34 2.02 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.58 62.14 4.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.473 -0.767 . . . . 0.0 110.484 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -71.57 154.71 41.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.39 102.22 0.86 Allowed Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.537 -2.225 . . . . 0.0 107.537 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.99 147.17 24.77 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.083 0.941 . . . . 0.0 109.854 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -90.26 -9.6 47.37 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.5 p -147.05 154.18 40.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.941 0.791 . . . . 0.0 111.064 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.02 -33.23 74.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.595 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -63.81 -46.32 85.67 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.491 -0.755 . . . . 0.0 110.297 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.13 -47.9 77.26 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 tp -54.75 -45.67 74.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.363 0.665 . . . . 0.0 110.075 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.2 m -58.54 -53.71 55.28 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.991 0.516 . . . . 0.0 110.223 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -63.92 -39.31 93.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.428 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -56.16 -43.5 78.38 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.281 -0.887 . . . . 0.0 109.638 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 m -55.3 -19.8 9.56 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.3 -34.43 68.69 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.205 0.911 . . . . 0.0 109.586 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 p -68.3 -34.96 77.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.948 0.499 . . . . 0.0 111.533 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -76.82 -46.88 23.17 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.9 p -67.79 -27.34 66.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.36 0.264 . . . . 0.0 110.837 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.62 30.66 47.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -79.93 50.28 1.18 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.91 0.862 . . . . 0.0 111.604 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -81.29 66.86 7.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -124.48 6.23 8.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -76.78 86.44 3.38 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -77.37 122.44 25.15 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.551 1.94 . . . . 0.0 111.044 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.8 t -61.91 117.71 6.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.48 73.76 1.92 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 t -148.94 113.61 5.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.15 131.64 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.836 0.854 . . . . 0.0 110.902 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.52 -55.88 4.87 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.61 44.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.974 1.309 . . . . 0.0 109.991 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -83.61 53.39 2.51 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.965 -1.084 . . . . 0.0 109.605 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.26 132.45 45.73 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -98.75 116.61 31.37 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.432 1.093 . . . . 0.0 109.879 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -100.83 161.96 13.23 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.58 0.752 . . . . 0.0 111.074 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -70.21 -55.73 8.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.043 1.337 . . . . 0.0 110.84 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.5 p -109.84 152.97 25.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 110.471 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -55.28 -45.68 76.16 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.98 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.397 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.28 -44.0 95.72 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.898 1.226 . . . . 0.0 108.778 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -58.01 -46.12 85.78 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.53 -51.09 71.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.593 0.633 . . . . 0.0 110.087 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -52.92 -53.8 44.16 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.645 0.778 . . . . 0.0 109.441 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -55.28 -53.7 52.73 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.105 0.411 . . . . 0.0 110.265 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -53.25 -46.61 69.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.689 0.757 . . . . 0.0 109.662 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -59.85 -62.97 1.48 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.164 0.586 . . . . 0.0 109.757 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -45.9 -46.75 16.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.293 2.237 . . . . 0.0 112.309 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -94.25 -25.04 17.21 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -122.75 -30.05 3.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.059 1.3 . . . . 0.0 113.598 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.623 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.1 mt -106.68 144.23 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.958 0.903 . . . . 0.0 110.289 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.63 119.49 10.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.821 1.249 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.44 -41.06 5.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.745 2.018 . . . . 0.0 112.349 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -75.37 66.11 1.76 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.34 1.056 . . . . 0.0 108.822 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -18.36 -61.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 129.026 2.93 . . . . 0.0 115.077 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.09 -38.36 2.34 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.809 1.644 . . . . 0.0 113.02 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -56.05 -35.87 67.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.862 1.265 . . . . 0.0 112.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.25 27.38 60.26 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.18 0.895 . . . . 0.0 113.982 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.05 142.68 27.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.52 145.95 24.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 118.418 -0.801 . . . . 0.0 108.889 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -149.01 149.25 30.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.415 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -53.47 -50.54 65.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.286 1.434 . . . . 0.0 114.111 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -95.79 143.47 26.99 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.53 -49.13 73.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.322 175.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.0 p-90 -54.16 -40.88 67.88 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.286 0.494 . . . . 0.0 111.501 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -67.05 -48.37 68.5 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.06 -44.1 93.45 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -47.01 77.63 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.269 -0.894 . . . . 0.0 110.125 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.94 71.79 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -49.73 -49.53 47.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.809 0.731 . . . . 0.0 110.625 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -54.05 -22.37 10.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.672 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 p -54.84 -33.15 61.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.695 1.134 . . . . 0.0 110.531 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -53.12 -45.73 68.43 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 123.238 0.615 . . . . 0.0 111.611 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -90.17 -46.1 8.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.459 0.703 . . . . 0.0 111.921 -174.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -83.95 -26.97 28.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -174.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.99 9.92 80.36 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -78.38 156.82 29.29 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.525 1.163 . . . . 0.0 111.671 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -134.18 76.56 63.13 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.81 -24.56 3.12 Favored 'Trans proline' 0 CA--C 1.534 0.485 1 C-N-CA 126.091 4.527 . . . . 0.0 119.012 -173.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -113.65 84.99 8.7 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 111.23 -175.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.01 142.61 28.04 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.279 1.986 . . . . 0.0 111.261 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -90.44 93.01 9.13 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -76.01 50.82 0.62 Allowed 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.474 -0.766 . . . . 0.0 112.391 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.08 159.86 14.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.44 1.496 . . . . 0.0 109.917 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.48 123.27 20.35 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.28 -52.92 3.06 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.228 0.442 . . . . 0.0 112.269 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.46 55.71 1.03 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.811 1.244 . . . . 0.0 110.62 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.97 64.46 4.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.611 0.765 . . . . 0.0 109.614 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -73.0 164.29 26.92 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.672 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.03 107.81 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.39 -2.684 . . . . 0.0 106.39 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -101.66 147.63 26.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.092 0.946 . . . . 0.0 110.115 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -85.66 -17.87 34.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.19 0.996 . . . . 0.0 112.962 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.0 p -142.02 155.46 45.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.293 0.951 . . . . 0.0 112.04 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.18 -39.89 88.05 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.369 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -43.23 94.85 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.912 -0.566 . . . . 0.0 110.276 178.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -55.64 -46.63 77.43 Favored 'General case' 0 C--N 1.344 0.327 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.34 -45.75 92.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.139 0.495 . . . . 0.0 110.65 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.9 m -57.49 -56.03 27.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 110.186 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -63.27 -38.89 92.94 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.865 -0.522 . . . . 0.0 110.166 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -55.77 -41.37 73.93 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.377 -0.827 . . . . 0.0 109.546 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -56.17 -19.24 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.98 -33.38 70.6 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.271 -0.893 . . . . 0.0 109.463 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -67.64 -34.64 77.37 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.181 0.446 . . . . 0.0 111.367 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -77.31 -50.59 12.5 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.1 p -67.64 -28.58 67.84 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.269 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.16 67.02 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.663 1.125 . . . . 0.0 111.318 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -79.77 50.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.295 1.047 . . . . 0.0 112.353 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -78.79 63.44 3.53 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.329 2.251 . . . . 0.0 107.63 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -99.25 0.57 43.42 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -75.87 83.7 2.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.963 1.256 . . . . 0.0 109.79 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -79.66 119.42 22.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 127.511 2.324 . . . . 0.0 110.51 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -59.93 114.98 3.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.98 72.65 2.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -144.44 116.29 8.27 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.49 129.35 18.89 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.995 0.918 . . . . 0.0 110.898 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.56 -54.68 4.63 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.7 t -77.54 48.53 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.713 1.205 . . . . 0.0 109.969 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.64 52.86 2.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 120.951 -1.093 . . . . 0.0 109.574 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.31 131.73 45.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.21 125.86 42.02 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 124.893 1.277 . . . . 0.0 108.953 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -114.8 159.41 20.64 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.876 0.87 . . . . 0.0 111.432 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -69.24 -39.98 78.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.177 1.391 . . . . 0.0 112.409 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -132.76 156.84 46.35 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.259 0.552 . . . . 0.0 110.582 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.01 -42.96 91.4 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.585 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.562 -0.711 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.6 -47.05 87.11 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.905 0.775 . . . . 0.0 108.977 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.3 ttp -55.3 -48.71 73.7 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.022 0.529 . . . . 0.0 110.369 176.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -59.63 -50.96 71.83 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.875 0.87 . . . . 0.0 110.299 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -55.35 -46.65 76.41 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.764 0.711 . . . . 0.0 109.801 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -57.89 -55.1 39.28 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.238 0.472 . . . . 0.0 109.853 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -51.65 -44.58 63.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.742 0.782 . . . . 0.0 109.403 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -60.76 -61.78 2.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.825 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -46.75 -46.91 20.74 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.996 1.318 . . . . 0.0 112.557 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -95.33 -23.25 17.28 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -125.35 -23.56 4.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.809 1.186 . . . . 0.0 113.713 -173.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 N--CA 1.463 0.191 0 CA-C-N 119.554 1.07 . . . . 0.0 108.372 176.885 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.8 mt -88.9 144.62 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.613 0.765 . . . . 0.0 112.627 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.89 127.88 34.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.351 1.86 . . . . 0.0 110.44 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.17 -43.25 9.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.137 1.775 . . . . 0.0 112.422 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -75.89 64.74 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.907 0.883 . . . . 0.0 109.073 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.23 -62.47 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.797 2.839 . . . . 0.0 115.336 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.13 -37.56 2.09 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.862 1.665 . . . . 0.0 113.129 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.01 -35.76 59.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.448 1.499 . . . . 0.0 112.038 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.62 23.22 62.67 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.898 0.761 . . . . 0.0 114.1 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.09 144.27 26.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.73 144.52 24.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.333 -0.842 . . . . 0.0 109.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -146.06 156.06 43.21 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.889 0.768 . . . . 0.0 112.118 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -73.12 -29.99 63.3 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -173.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -114.62 142.51 46.36 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.623 0.769 . . . . 0.0 110.364 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.37 -47.76 80.8 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.614 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.52 -41.48 66.42 Favored 'General case' 0 C--N 1.341 0.236 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -66.58 -46.74 74.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.98 -40.05 79.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.52 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -61.7 -45.73 92.72 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.699 0.682 . . . . 0.0 109.83 177.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.98 68.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.435 0.694 . . . . 0.0 110.228 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -69.03 -59.28 3.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.3 mt -48.96 -30.82 6.43 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 125.009 1.323 . . . . 0.0 112.751 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 p -49.79 -34.86 20.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.711 0.687 . . . . 0.0 111.108 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.1 -35.79 77.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.786 0.434 . . . . 0.0 111.941 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -90.22 -48.18 7.32 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.165 0.586 . . . . 0.0 111.151 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -87.2 -28.14 22.58 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 9.44 86.98 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -172.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -77.54 139.98 39.66 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.861 1.331 . . . . 0.0 111.405 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -135.53 80.08 45.93 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.74 -25.95 4.12 Favored 'Trans proline' 0 C--N 1.348 0.507 1 C-N-CA 125.853 4.369 . . . . 0.0 118.76 -174.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.32 80.34 2.5 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 119.182 0.901 . . . . 0.0 110.634 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.91 150.58 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.54 2.16 . . . . 0.0 111.61 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.8 t -91.18 82.94 5.49 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -73.28 51.54 0.33 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -95.23 158.38 15.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.048 1.339 . . . . 0.0 108.731 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -64.41 129.16 38.81 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.03 -57.14 3.15 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.943 -0.473 . . . . 0.0 112.318 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.6 t -77.27 51.43 0.85 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.263 1.025 . . . . 0.0 110.933 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.32 66.29 4.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.896 0.879 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -74.75 167.45 21.79 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.145 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.45 113.0 1.28 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -115.0 150.2 36.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.056 0.928 . . . . 0.0 109.789 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -87.29 -12.38 46.74 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -146.46 160.27 42.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.18 0.9 . . . . 0.0 109.466 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.89 -42.65 99.85 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -67.67 -39.46 84.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.866 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -58.22 -47.12 84.48 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.07 -42.45 90.39 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.407 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 m -61.04 -52.8 63.45 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.592 -0.693 . . . . 0.0 111.039 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -55.77 -39.53 71.35 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.723 0.692 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.23 -49.95 73.7 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.4 m -51.21 -31.38 20.24 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.591 0.756 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.5 mt -50.49 -31.98 16.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.56 0.618 . . . . 0.0 111.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.5 p -64.72 -29.86 70.86 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.162 -0.336 . . . . 0.0 111.715 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.24 -48.79 15.0 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 123.915 0.886 . . . . 0.0 109.453 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.1 p -71.44 -24.83 62.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.379 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 33.04 44.71 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.11 56.87 2.53 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 122.011 0.91 . . . . 0.0 111.217 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -78.99 77.31 5.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -122.99 -4.27 8.54 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.83 86.42 2.81 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.99 1.268 . . . . 0.0 108.351 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.9 m -77.27 118.53 19.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.065 1.746 . . . . 0.0 111.356 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.49 117.4 4.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -75.22 70.95 2.2 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.867 0.467 . . . . 0.0 110.156 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -147.17 118.54 7.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.74 139.31 26.83 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.95 0.5 . . . . 0.0 109.794 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.79 -61.05 4.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.24 49.34 0.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.646 0.778 . . . . 0.0 110.233 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -83.07 51.71 2.01 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 120.993 -1.067 . . . . 0.0 108.739 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.78 129.85 39.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -98.68 123.04 42.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.92 160.92 14.4 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.041 0.936 . . . . 0.0 110.613 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -70.41 -38.44 74.61 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.671 1.188 . . . . 0.0 112.217 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.0 p -131.17 156.42 45.34 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.309 0.504 . . . . 0.0 110.2 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -57.05 -45.71 82.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.59 87.87 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.762 -0.637 . . . . 0.0 111.535 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.8 -44.88 96.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.597 1.089 . . . . 0.0 108.972 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.1 ttp -56.47 -47.98 78.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.975 0.51 . . . . 0.0 109.864 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -58.42 -50.19 74.6 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.346 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.8 -48.86 72.23 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.328 0.967 . . . . 0.0 109.641 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -53.36 -52.15 60.17 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -56.7 -46.8 81.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.167 0.508 . . . . 0.0 111.149 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.04 -37.33 76.74 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.577 1.551 . . . . 0.0 110.634 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -79.2 -38.1 36.62 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.059 0.944 . . . . 0.0 111.456 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -97.92 -74.28 0.58 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -174.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.28 -28.98 61.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.008 0.523 . . . . 0.0 112.374 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 176.121 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 104.391 -2.448 . . . . 0.0 104.391 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 143.98 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.886 0.875 . . . . 0.0 109.963 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.51 117.24 7.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.716 1.206 . . . . 0.0 110.197 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -43.2 -40.32 3.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 126.923 2.089 . . . . 0.0 112.905 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.71 65.33 1.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.482 1.113 . . . . 0.0 109.336 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.89 -63.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 129.009 2.923 . . . . 0.0 115.241 -177.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.81 -37.86 2.98 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.722 1.609 . . . . 0.0 113.059 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.6 t -56.23 -34.65 66.54 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.017 1.327 . . . . 0.0 112.031 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.7 27.17 61.16 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.405 1.002 . . . . 0.0 114.193 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.85 142.98 27.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 118.103 0.952 . . . . 0.0 108.918 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.78 148.94 25.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -147.29 158.67 44.05 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.005 0.522 . . . . 0.0 110.546 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -75.02 -53.12 9.47 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 124.042 0.937 . . . . 0.0 111.559 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -82.19 129.38 34.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.795 -0.565 . . . . 0.0 110.758 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -49.37 -48.8 46.54 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.403 0.681 . . . . 0.0 111.296 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -55.62 -36.57 67.11 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.103 0.961 . . . . 0.0 112.562 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -66.86 -48.24 69.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.51 -35.03 79.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.021 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.07 -50.44 73.71 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 120.705 -1.247 . . . . 0.0 109.359 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.79 79.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -57.81 -54.26 48.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.185 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.01 -36.57 63.13 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.736 -0.603 . . . . 0.0 111.964 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.5 p -54.38 -31.33 54.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.217 0.917 . . . . 0.0 111.615 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.01 -39.5 74.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.31 0.504 . . . . 0.0 111.066 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -90.75 -49.88 6.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.447 0.699 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -80.28 -30.62 38.32 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -172.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.13 8.1 82.8 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -172.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.79 152.61 31.3 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.824 1.312 . . . . 0.0 110.684 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -131.55 77.28 73.59 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.477 1.111 . . . . 0.0 108.278 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -50.99 -21.03 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.388 1 C-N-CA 125.588 4.192 . . . . 0.0 118.694 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -112.1 79.03 2.59 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 119.778 1.172 . . . . 0.0 111.133 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.29 139.18 28.75 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.669 2.246 . . . . 0.0 110.019 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.81 -20.85 48.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.958 0.903 . . . . 0.0 111.381 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 66.38 -38.82 0.31 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.922 2.089 . . . . 0.0 116.337 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -42.96 137.46 2.37 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.266 1.026 . . . . 0.0 112.773 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -55.2 130.9 43.92 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.6 -61.74 3.58 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.11 47.51 0.67 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.507 1.123 . . . . 0.0 110.432 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -84.71 60.21 6.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.99 155.74 35.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.252 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.28 100.53 0.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 106.764 -2.535 . . . . 0.0 106.764 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -96.55 148.77 22.49 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.274 1.037 . . . . 0.0 109.97 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -96.18 -7.57 35.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.397 1.079 . . . . 0.0 112.194 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 p -147.08 139.06 24.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.599 0.636 . . . . 0.0 111.841 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.49 -45.82 73.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.48 1.112 . . . . 0.0 110.334 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -56.27 -44.35 79.68 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -63.14 -47.44 82.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.6 -45.6 77.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.464 0.649 . . . . 0.0 110.267 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -56.85 -57.48 12.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.505 0.722 . . . . 0.0 110.167 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -67.64 -32.69 73.55 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.126 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.52 -42.97 71.48 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.175 -0.953 . . . . 0.0 108.806 174.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.5 m -53.81 -23.98 14.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.97 -33.85 58.1 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.433 1.015 . . . . 0.0 110.499 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.9 p -65.14 -30.73 71.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.373 0.269 . . . . 0.0 110.965 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.74 -49.05 12.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 124.348 1.059 . . . . 0.0 109.551 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 p -70.23 -23.72 62.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.483 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.84 55.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.01 46.26 0.79 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.758 -0.848 . . . . 0.0 111.936 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.82 66.62 4.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.968 2.107 . . . . 0.0 108.46 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -112.57 1.83 15.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -173.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.13 88.11 2.44 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 120.022 1.283 . . . . 0.0 109.574 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.5 m -77.02 119.62 20.99 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 126.313 1.845 . . . . 0.0 111.949 -173.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.69 122.16 12.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -75.38 68.85 2.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.062 0.945 . . . . 0.0 109.819 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -148.05 116.75 6.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.85 135.69 41.58 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.294 0.638 . . . . 0.0 110.151 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.13 -58.08 4.84 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.4 t -78.21 49.94 0.87 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.749 0.819 . . . . 0.0 109.923 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -83.19 52.13 2.13 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.925 -1.109 . . . . 0.0 108.864 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.52 129.76 40.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -101.39 121.01 41.15 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -105.16 166.74 10.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.36 1.064 . . . . 0.0 111.925 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -67.59 -54.81 16.67 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.377 1.871 . . . . 0.0 112.945 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.8 p -126.47 155.83 41.64 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.37 -40.24 61.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.116 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.71 -27.72 69.46 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.172 0.896 . . . . 0.0 112.807 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -67.0 -46.99 72.86 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.99 -45.73 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.02 0.928 . . . . 0.0 109.462 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.03 -50.55 72.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.494 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -50.76 -52.97 35.6 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 119.321 0.964 . . . . 0.0 109.061 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -53.59 -54.01 43.6 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.626 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.4 -49.16 73.09 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.327 0.512 . . . . 0.0 110.963 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -54.63 -44.63 73.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.774 1.629 . . . . 0.0 110.27 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -74.87 -32.06 61.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 112.299 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -104.86 -78.13 0.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -174.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -75.79 -24.97 56.01 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 124.028 0.931 . . . . 0.0 113.235 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.328 -0.343 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 176.445 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.34 141.61 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.2 118.75 7.25 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.087 1.755 . . . . 0.0 110.775 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -50.05 -33.75 19.33 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.212 1.805 . . . . 0.0 113.197 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -70.79 76.18 0.62 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.723 0.809 . . . . 0.0 109.011 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.4 69.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.966 2.507 . . . . 0.0 113.58 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -172.28 -50.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 130.143 3.377 . . . . 0.0 104.862 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -83.32 72.42 10.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.73 53.89 0.22 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 127.132 2.301 . . . . 0.0 113.774 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.59 152.4 20.3 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.623 1.169 . . . . 0.0 108.057 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.94 144.52 22.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.319 -0.848 . . . . 0.0 108.979 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -148.21 148.68 30.79 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -34.96 -51.68 0.52 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.818 2.447 . . . . 0.0 116.717 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -123.04 155.59 36.57 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -54.53 -48.14 72.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.675 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 -58.71 -39.52 81.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.596 0.758 . . . . 0.0 110.065 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -48.73 76.38 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.34 -42.74 87.54 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.017 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.56 -45.7 84.83 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 119.322 0.965 . . . . 0.0 110.215 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.24 76.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.298 -0.251 . . . . 0.0 110.685 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -65.95 -55.71 15.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.661 174.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.39 -34.43 34.38 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 124.34 1.056 . . . . 0.0 112.267 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -52.26 -30.33 27.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.733 0.697 . . . . 0.0 111.282 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.53 -35.68 72.67 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.981 0.512 . . . . 0.0 110.629 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -90.36 -51.13 5.58 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.302 1.041 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 p -87.31 -24.46 24.3 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.13 10.09 77.59 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.88 143.5 37.7 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.664 1.232 . . . . 0.0 109.75 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -131.18 77.95 73.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -46.5 -27.29 4.96 Favored 'Trans proline' 0 C--N 1.345 0.393 1 C-N-CA 125.421 4.08 . . . . 0.0 119.009 -174.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.1 83.15 3.61 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 119.685 1.13 . . . . 0.0 111.715 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.78 141.61 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.186 1.924 . . . . 0.0 110.918 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.55 85.83 7.15 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -75.04 55.84 0.74 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.374 -0.829 . . . . 0.0 111.774 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -94.3 170.91 9.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.098 1.759 . . . . 0.0 109.854 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.51 113.67 7.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 -46.82 2.04 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.408 0.527 . . . . 0.0 113.571 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.8 t -75.66 57.78 1.02 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.788 1.235 . . . . 0.0 111.012 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -78.84 65.53 4.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.77 0.828 . . . . 0.0 110.496 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -73.36 162.51 29.25 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.27 104.59 0.82 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.844 -2.502 . . . . 0.0 106.844 176.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.74 140.92 34.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.202 1.001 . . . . 0.0 109.094 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -81.94 -12.1 58.55 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.694 -0.628 . . . . 0.0 112.487 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 p -148.06 155.7 41.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.385 0.993 . . . . 0.0 112.126 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.893 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -60.93 -46.0 92.42 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.719 -0.613 . . . . 0.0 110.348 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -56.81 -48.42 78.01 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.6 -42.35 74.7 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.27 0.628 . . . . 0.0 110.159 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.9 m -61.44 -54.67 40.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.119 0.568 . . . . 0.0 109.932 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -62.39 -38.25 88.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.004 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -58.36 -45.37 88.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.541 -0.724 . . . . 0.0 110.557 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 p -55.07 -22.02 14.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.73 -33.62 68.63 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.733 -0.604 . . . . 0.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 p -69.62 -33.15 72.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.087 0.403 . . . . 0.0 111.553 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -76.94 -50.32 13.53 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.4 p -68.96 -29.31 67.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.947 0.499 . . . . 0.0 111.515 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.29 23.07 59.48 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.538 1.066 . . . . 0.0 110.548 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.89 51.61 1.14 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.059 0.929 . . . . 0.0 112.215 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -79.37 62.71 3.79 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.658 1.983 . . . . 0.0 107.843 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -102.38 -1.47 30.8 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -172.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -75.73 84.79 2.73 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.747 1.158 . . . . 0.0 109.635 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -79.74 122.03 26.08 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.242 2.217 . . . . 0.0 110.71 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.91 115.96 4.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -74.33 74.87 1.87 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.3 t -149.42 112.67 4.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.08 131.9 23.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.671 0.789 . . . . 0.0 110.916 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.59 -56.31 4.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.8 t -77.76 44.81 0.47 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.841 1.256 . . . . 0.0 109.984 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -83.79 53.01 2.41 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 120.901 -1.124 . . . . 0.0 109.66 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.89 133.08 47.75 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -97.81 123.66 41.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 125.05 1.34 . . . . 0.0 108.879 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -112.98 158.46 20.23 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.836 0.855 . . . . 0.0 111.527 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -69.17 -42.92 75.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.838 1.255 . . . . 0.0 111.984 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.5 p -127.02 155.84 42.59 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 110.691 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -59.26 -40.93 87.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.47 98.61 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.795 -0.566 . . . . 0.0 110.809 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.07 -46.15 89.01 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.242 0.928 . . . . 0.0 109.224 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 52.7 ttp -55.03 -49.04 72.54 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.896 0.479 . . . . 0.0 109.921 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.04 -48.48 81.55 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.592 0.757 . . . . 0.0 110.414 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.42 -51.62 64.32 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 119.359 0.981 . . . . 0.0 109.386 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -54.94 -54.97 35.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.698 0.285 . . . . 0.0 110.308 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -52.77 -44.68 66.7 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.711 0.767 . . . . 0.0 109.557 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.41 -61.8 2.33 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -47.23 -48.93 24.16 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.102 1.361 . . . . 0.0 112.38 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -92.13 -23.74 19.33 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -173.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.73 -28.0 3.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.864 1.211 . . . . 0.0 113.695 -173.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 N--CA 1.464 0.253 0 CA-C-N 119.51 1.05 . . . . 0.0 108.631 177.6 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 102.903 -2.999 . . . . 0.0 102.903 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 14' ' ' ILE . 1.9 mp -103.98 145.11 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.997 0.919 . . . . 0.0 108.724 -176.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.56 114.41 6.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.362 1.065 . . . . 0.0 109.169 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -42.67 -38.79 2.16 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.722 2.009 . . . . 0.0 113.234 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.97 66.38 1.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.334 1.054 . . . . 0.0 108.982 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.13 -61.35 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 128.697 2.799 . . . . 0.0 115.071 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.95 -38.78 3.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.657 1.583 . . . . 0.0 112.951 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.8 t -56.7 -34.95 67.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.937 1.295 . . . . 0.0 112.066 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.09 60.32 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.361 0.981 . . . . 0.0 114.187 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.43 147.8 23.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.106 0.953 . . . . 0.0 108.918 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.89 151.03 17.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -151.31 155.76 39.39 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.606 0.639 . . . . 0.0 109.742 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -63.54 -62.91 1.36 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.482 0.658 . . . . 0.0 111.963 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -78.59 124.66 28.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.809 -173.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -46.99 -47.55 21.95 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.431 1.092 . . . . 0.0 111.774 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 17.5 p-90 -50.62 -42.53 56.27 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.259 0.624 . . . . 0.0 111.074 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -69.5 -45.18 69.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.92 -34.53 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.49 -48.76 71.48 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.042 -1.036 . . . . 0.0 108.95 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.97 -37.13 63.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.433 0.693 . . . . 0.0 109.914 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -69.26 -59.28 3.12 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 121.648 -0.657 . . . . 0.0 109.536 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 mt -47.4 -34.79 7.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.444 1.098 . . . . 0.0 112.647 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -46.25 -38.2 8.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.255 0.622 . . . . 0.0 111.729 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.58 -42.15 70.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.979 0.912 . . . . 0.0 111.745 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -91.37 -47.12 7.64 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.708 0.803 . . . . 0.0 111.819 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.5 p -85.16 -29.3 24.87 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 11.21 84.23 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -172.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -76.97 129.25 35.89 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.075 1.438 . . . . 0.0 109.515 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -131.84 79.41 67.95 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.62 -32.64 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 124.724 3.616 . . . . 0.0 117.185 -176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -114.77 77.01 4.44 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 118.89 0.768 . . . . 0.0 112.189 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.48 160.56 22.47 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.064 2.509 . . . . 0.0 108.337 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.2 t -82.15 -9.42 59.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.32 1.448 . . . . 0.0 113.209 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.32 -48.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.722 1.609 . . . . 0.0 114.571 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -43.07 140.36 1.48 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.885 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -55.9 127.85 32.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.56 -61.54 3.58 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.1 t -78.3 55.97 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.124 0.97 . . . . 0.0 109.76 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -81.63 -29.25 33.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.968 0.907 . . . . 0.0 110.108 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 42.1 -143.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.923 2.089 . . . . 0.0 112.833 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.6 94.31 0.1 OUTLIER Glycine 0 CA--C 1.521 0.417 0 N-CA-C 106.864 -2.494 . . . . 0.0 106.864 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.59 -1.22 30.75 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p 62.66 -25.7 0.06 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.02 2.23 . . . . 0.0 117.02 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -138.1 158.58 44.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.614 1.552 . . . . 0.0 109.245 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.7 -43.23 89.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -64.22 -42.81 96.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.103 -0.373 . . . . 0.0 110.817 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -56.66 -47.87 78.84 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.988 0.899 . . . . 0.0 108.641 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.01 -37.2 81.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.896 -0.503 . . . . 0.0 111.222 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.3 m -62.07 -50.33 72.41 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.3 -0.875 . . . . 0.0 109.408 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -61.23 -41.36 96.74 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.264 -0.974 . . . . 0.0 110.05 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -53.43 -46.36 69.79 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.796 0.725 . . . . 0.0 110.182 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -54.17 -24.11 16.9 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.4 mt -54.88 -32.33 60.76 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.131 0.878 . . . . 0.0 110.402 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -64.94 -31.73 73.1 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 117.822 0.283 . . . . 0.0 111.05 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -80.72 -48.82 12.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.842 0.857 . . . . 0.0 109.669 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -71.37 -23.81 61.97 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.41 68.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -79.86 55.35 2.06 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.875 0.845 . . . . 0.0 112.178 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -78.61 90.91 4.56 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.317 2.247 . . . . 0.0 106.507 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -131.79 -0.96 3.82 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -76.07 82.86 2.92 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 121.065 1.757 . . . . 0.0 109.42 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -76.72 108.98 10.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.527 1.931 . . . . 0.0 110.462 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.7 t -61.94 142.44 57.43 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -93.06 -96.92 0.14 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t 52.33 -147.03 0.47 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.995 0.918 . . . . 0.0 110.008 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.72 61.36 1.38 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.329 1.052 . . . . 0.0 109.918 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.27 35.55 85.1 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.805 0.716 . . . . 0.0 111.651 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -83.59 62.5 6.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.82 58.67 0.33 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.183 0.993 . . . . 0.0 113.326 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.96 117.35 26.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -87.74 100.27 12.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.366 1.466 . . . . 0.0 108.886 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -87.19 157.05 19.43 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.388 0.613 . . . . 0.0 111.055 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.8 p -71.7 -38.98 70.48 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.513 1.125 . . . . 0.0 111.517 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.6 p -132.96 155.51 48.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.181 0.515 . . . . 0.0 110.383 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -59.51 -39.85 85.18 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.47 99.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.857 -0.527 . . . . 0.0 110.952 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.96 -46.29 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.849 0.749 . . . . 0.0 109.349 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.5 ttp -54.97 -46.78 75.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.952 0.501 . . . . 0.0 110.423 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -62.68 -48.76 77.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.61 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -55.74 -47.84 76.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.636 1.107 . . . . 0.0 109.262 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -53.23 -53.32 52.41 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -55.41 -47.99 75.08 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.099 -0.375 . . . . 0.0 110.96 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -54.82 -45.25 74.4 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.765 1.626 . . . . 0.0 110.162 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -73.09 -38.37 66.42 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.879 0.872 . . . . 0.0 112.243 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -97.73 -74.49 0.57 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -75.65 -29.42 59.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.385 0.674 . . . . 0.0 112.575 -169.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--N 1.33 -0.276 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.122 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 101.0 -3.704 . . . . 0.0 101.0 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.05 142.62 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.448 0.699 . . . . 0.0 110.503 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.39 118.73 8.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.678 1.191 . . . . 0.0 110.102 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -46.92 -37.79 9.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.172 1.789 . . . . 0.0 113.103 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.18 64.84 1.47 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.499 1.12 . . . . 0.0 109.559 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -12.3 -67.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.316 3.047 . . . . 0.0 115.479 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.52 -37.95 2.68 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.842 1.657 . . . . 0.0 113.138 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -34.87 67.25 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.972 1.309 . . . . 0.0 111.948 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.03 30.6 54.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.868 1.223 . . . . 0.0 114.531 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.81 145.19 24.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.021 0.911 . . . . 0.0 108.714 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.15 147.07 24.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -149.1 147.21 28.22 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 118.273 0.488 . . . . 0.0 110.559 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -66.89 -46.39 75.06 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 125.573 1.549 . . . . 0.0 111.474 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -77.86 108.78 11.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -47.54 -44.7 26.15 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.862 1.265 . . . . 0.0 111.859 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -60.28 -34.68 74.09 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.179 0.992 . . . . 0.0 111.589 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -71.39 -41.49 69.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.4 -40.97 98.66 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 173.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.846 -1.159 . . . . 0.0 110.284 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -44.71 75.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -57.79 -53.64 55.88 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.557 -0.714 . . . . 0.0 110.109 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.5 -40.9 39.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 121.534 -0.729 . . . . 0.0 111.969 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 p -51.66 -31.6 26.26 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.622 0.646 . . . . 0.0 111.868 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -54.27 -43.34 70.93 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.584 0.629 . . . . 0.0 111.155 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -91.04 -51.36 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.993 0.917 . . . . 0.0 111.61 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 p -76.98 -31.2 56.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.023 1.329 . . . . 0.0 113.864 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.0 8.86 74.9 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -171.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.97 149.37 32.29 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 118.736 1.268 . . . . 0.0 111.024 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -134.09 77.92 60.41 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.542 1.137 . . . . 0.0 108.343 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.5 -26.18 5.98 Favored 'Trans proline' 0 C--N 1.346 0.403 1 C-N-CA 125.963 4.442 . . . . 0.0 119.171 -174.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -108.68 85.9 3.3 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 119.318 0.963 . . . . 0.0 111.236 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -74.01 145.66 35.91 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.005 1.804 . . . . 0.0 110.404 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.18 -24.23 43.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.92 0.888 . . . . 0.0 111.381 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt 65.43 -33.61 0.17 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -44.78 136.42 4.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.559 1.072 . . . . 0.0 112.093 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.27 126.03 13.89 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.053 0.941 . . . . 0.0 109.789 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.82 -58.6 3.86 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.4 t -77.26 45.05 0.44 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.346 1.458 . . . . 0.0 110.517 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -84.6 63.24 7.8 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.879 -1.138 . . . . 0.0 108.142 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.25 164.97 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.363 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.9 111.11 1.66 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -107.68 148.07 29.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.81 0.805 . . . . 0.0 110.402 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -88.1 -13.92 40.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.607 1.163 . . . . 0.0 112.649 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 p -149.15 152.57 36.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.989 0.813 . . . . 0.0 110.593 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.8 tp -58.43 -37.38 75.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -46.34 88.91 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.017 -0.427 . . . . 0.0 110.35 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -57.41 -47.57 81.37 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.14 -39.41 78.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.921 0.391 . . . . 0.0 110.647 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.3 m -60.06 -52.0 67.24 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.554 -0.716 . . . . 0.0 109.307 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 ptt-85 -64.19 -37.54 87.82 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.337 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -55.23 -43.28 74.4 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.376 -0.827 . . . . 0.0 109.427 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -56.8 -18.11 11.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.0 -35.86 71.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.662 1.119 . . . . 0.0 109.051 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 p -65.9 -33.57 76.14 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.339 0.256 . . . . 0.0 111.245 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -78.07 -49.71 13.44 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.903 0.881 . . . . 0.0 109.533 -177.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -69.52 -27.22 64.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.92 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.89 20.99 62.18 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.563 1.078 . . . . 0.0 110.513 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.25 47.67 0.93 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.285 1.04 . . . . 0.0 112.5 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -81.74 66.53 7.35 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -106.62 2.23 25.82 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -170.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -75.49 85.66 2.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 119.101 0.864 . . . . 0.0 109.377 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -78.76 120.84 23.99 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 127.003 2.121 . . . . 0.0 110.137 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.69 114.35 3.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -75.02 74.02 2.21 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 t -145.07 116.3 7.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.61 128.4 15.04 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.095 0.958 . . . . 0.0 111.006 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.02 -53.44 4.37 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.57 51.12 0.87 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.575 1.15 . . . . 0.0 110.067 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.66 53.22 2.3 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.003 -1.061 . . . . 0.0 109.511 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.84 128.36 36.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.5 0.72 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -94.42 129.68 41.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.299 1.04 . . . . 0.0 109.379 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -115.65 164.27 14.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.636 0.774 . . . . 0.0 111.585 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 p -69.12 -58.99 3.34 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.943 1.697 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.0 p -115.85 145.57 42.75 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.993 0.917 . . . . 0.0 110.057 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -44.93 -52.79 8.34 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.095 0.958 . . . . 0.0 110.819 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.83 -28.84 64.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.81 -44.21 77.81 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -61.66 -41.08 97.05 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.572 0.749 . . . . 0.0 109.669 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.63 -55.99 27.57 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.84 0.746 . . . . 0.0 109.143 176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -50.75 -52.31 41.88 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.457 0.703 . . . . 0.0 109.635 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -55.07 -55.04 35.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.678 0.217 . . . . 0.0 111.242 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -54.12 -44.97 71.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.575 0.703 . . . . 0.0 110.192 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.99 -63.71 1.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -48.78 -45.74 40.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.819 2.448 . . . . 0.0 113.504 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.24 -23.97 15.91 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.157 1.539 . . . . 0.0 115.157 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.19 -48.41 1.2 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.979 1.263 . . . . 0.0 113.781 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 CA-C-N 119.031 0.832 . . . . 0.0 112.04 -173.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 mt -105.75 132.46 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 111.071 -176.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.0 t -57.38 130.94 48.51 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 110.735 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 p -69.72 -68.67 0.4 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.824 1.65 . . . . 0.0 112.674 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -19.23 102.6 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 128.168 2.587 . . . . 0.0 114.802 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.33 36.64 2.39 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.036 1.334 . . . . 0.0 113.279 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 58.93 38.9 24.26 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.578 1.151 . . . . 0.0 111.572 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -42.56 -40.28 2.61 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.292 1.437 . . . . 0.0 112.055 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.45 10.71 86.08 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 113.901 0.32 . . . . 0.0 113.901 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.6 103.79 6.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.6 136.77 44.57 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.11 0.964 . . . . 0.0 111.552 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.06 152.58 46.3 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.329 0.652 . . . . 0.0 110.988 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -78.56 -46.91 18.34 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.273 1.029 . . . . 0.0 111.575 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -88.35 136.91 32.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 121.937 -0.477 . . . . 0.0 110.328 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.86 -46.54 84.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.583 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.1 p-90 -55.17 -38.8 68.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.658 0.783 . . . . 0.0 111.384 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -64.76 -47.64 77.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.78 -40.36 92.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.117 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -58.21 -47.25 84.05 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 119.59 1.086 . . . . 0.0 109.927 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.66 77.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -60.01 -55.74 30.3 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.811 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.09 -33.01 50.26 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.864 0.866 . . . . 0.0 111.68 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 p -55.44 -30.03 59.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.058 0.845 . . . . 0.0 111.25 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -36.71 78.14 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.87 0.468 . . . . 0.0 110.882 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -90.63 -50.33 5.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.365 0.666 . . . . 0.0 111.076 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -79.39 -33.83 42.4 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.51 88.08 Favored Glycine 0 CA--C 1.537 1.437 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -171.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.86 139.7 37.05 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.957 1.378 . . . . 0.0 110.658 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -129.7 82.68 66.47 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 124.483 1.113 . . . . 0.0 108.079 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.22 -22.45 11.29 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.699 4.266 . . . . 0.0 118.484 -174.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.53 79.26 0.98 Allowed Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 119.247 0.931 . . . . 0.0 110.362 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.95 155.68 52.85 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.562 1.508 . . . . 0.0 108.954 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -81.85 147.98 29.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.24 142.69 34.38 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.725 0.693 . . . . 0.0 110.364 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.03 134.76 56.64 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -59.17 3.88 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.93 61.76 2.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.557 1.143 . . . . 0.0 108.836 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -83.08 -27.46 30.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.009 1.324 . . . . 0.0 109.908 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 43.82 -134.01 0.59 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.887 1.675 . . . . 0.0 111.701 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.46 99.69 0.14 Allowed Glycine 0 CA--C 1.521 0.437 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -111.76 155.57 23.3 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.728 0.764 . . . . 0.0 109.589 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -103.42 -2.89 26.22 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.841 0.856 . . . . 0.0 113.303 -176.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -155.49 155.35 33.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.104 0.865 . . . . 0.0 111.158 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.0 -42.07 93.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.064 176.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -57.98 -50.4 73.53 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -43.84 97.27 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.68 -45.02 93.34 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.968 0.507 . . . . 0.0 109.89 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 50.7 m -60.13 -48.8 80.2 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -57.33 -47.6 81.12 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -55.79 -45.69 78.14 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.143 -0.973 . . . . 0.0 110.03 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -57.67 -17.51 15.32 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.36 -35.35 67.56 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.348 0.976 . . . . 0.0 109.233 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.0 p -64.55 -35.55 81.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.851 0.46 . . . . 0.0 111.376 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.39 -50.09 12.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.923 0.889 . . . . 0.0 109.63 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -65.6 -25.79 67.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.379 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.91 33.19 57.91 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -79.38 47.95 0.86 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.906 0.86 . . . . 0.0 111.804 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -82.46 67.86 8.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.17 7.26 6.52 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -77.14 84.22 3.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 m -77.24 116.12 17.59 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.423 1.889 . . . . 0.0 110.335 -174.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.77 116.3 3.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 174.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.59 71.12 1.86 Allowed 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.892 0.477 . . . . 0.0 110.467 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -149.01 116.67 6.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.77 138.67 18.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 110.26 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.27 -59.82 4.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.41 47.77 0.72 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.892 0.877 . . . . 0.0 110.177 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -82.63 54.37 2.63 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -73.0 124.84 26.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.782 0.833 . . . . 0.0 109.447 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -93.82 110.09 21.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.546 1.138 . . . . 0.0 109.988 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.22 161.17 14.37 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.105 0.562 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 p -69.87 -55.37 9.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 125.308 1.443 . . . . 0.0 111.207 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 p -112.04 154.93 24.63 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.353 0.661 . . . . 0.0 109.61 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -56.27 -44.23 79.55 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.04 83.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.894 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.33 -44.4 95.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.678 1.126 . . . . 0.0 109.212 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.03 -46.84 84.65 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.015 0.526 . . . . 0.0 109.945 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.15 -50.11 75.31 Favored 'General case' 0 CA--C 1.528 0.114 0 O-C-N 121.625 -0.672 . . . . 0.0 110.161 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -55.8 -45.19 78.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.944 0.793 . . . . 0.0 109.569 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -56.54 -52.09 66.08 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -55.55 -46.43 77.11 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.968 -0.457 . . . . 0.0 110.907 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.05 -46.4 78.93 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.671 1.588 . . . . 0.0 110.267 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.34 -38.98 71.62 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -100.31 -70.57 0.73 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -75.06 -33.19 61.68 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -170.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.969 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -109.79 142.69 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.571 0.748 . . . . 0.0 109.927 -176.133 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.18 118.11 8.12 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.379 1.072 . . . . 0.0 109.797 178.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.19 -40.51 3.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.724 2.009 . . . . 0.0 112.769 -179.291 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -75.29 65.37 1.61 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.708 1.203 . . . . 0.0 109.01 178.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.26 -60.52 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 128.964 2.906 . . . . 0.0 115.13 -176.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.63 -38.17 2.91 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.773 1.629 . . . . 0.0 112.914 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -55.7 -35.47 66.11 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.51 23.44 62.68 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.016 0.817 . . . . 0.0 113.904 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.25 140.92 29.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.151 0.976 . . . . 0.0 109.008 178.269 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.5 144.65 20.83 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -151.61 145.45 25.11 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.395 0.543 . . . . 0.0 109.795 179.06 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.05 -56.28 8.21 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 122.693 1.235 . . . . 0.0 112.224 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.12 79.43 1.75 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.206 -174.089 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -11.91 -60.35 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 129.929 3.292 . . . . 0.0 115.283 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 33.5 p-90 -44.14 -39.39 4.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.923 1.289 . . . . 0.0 112.563 -179.455 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.08 -40.06 94.09 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.75 1.22 . . . . 0.0 110.198 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.13 -41.68 63.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.876 0.87 . . . . 0.0 108.837 177.493 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -54.66 -50.21 68.75 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.51 64.91 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.877 -0.582 . . . . 0.0 109.63 177.141 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -46.25 -49.87 16.71 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.834 0.743 . . . . 0.0 111.257 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -53.15 -26.37 16.75 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -54.79 -33.31 61.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.301 0.955 . . . . 0.0 110.909 177.429 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -52.69 -45.59 66.91 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.662 0.785 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.34 -46.84 7.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.704 0.802 . . . . 0.0 112.041 -175.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.4 p -83.56 -27.88 28.97 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -173.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.9 10.2 83.7 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -172.438 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.94 158.88 29.17 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.658 1.229 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -133.02 76.45 70.09 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.258 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -44.81 -27.55 2.48 Favored 'Trans proline' 0 CA--C 1.532 0.414 1 C-N-CA 126.449 4.766 . . . . 0.0 118.922 -174.303 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.76 86.71 5.99 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.541 1.064 . . . . 0.0 111.432 -175.615 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -70.71 146.06 53.33 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.494 2.129 . . . . 0.0 110.82 178.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.37 -18.39 42.22 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.049 0.94 . . . . 0.0 112.102 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt 67.82 -44.84 0.49 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.703 2.001 . . . . 0.0 115.755 176.697 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -40.49 134.41 1.74 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.813 1.245 . . . . 0.0 113.222 -176.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -56.26 133.44 52.57 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.31 -62.38 3.42 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.06 46.25 0.58 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.841 1.256 . . . . 0.0 110.156 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -84.29 59.76 5.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -67.25 167.43 12.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.67 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.71 113.71 1.74 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 106.124 -2.79 . . . . 0.0 106.124 175.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.04 144.86 30.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.686 0.794 . . . . 0.0 109.729 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -81.9 -20.78 38.08 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.689 0.795 . . . . 0.0 112.448 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 p -141.65 155.48 45.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.917 0.78 . . . . 0.0 110.864 178.301 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.47 -41.99 91.03 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.592 175.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.56 89.47 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 122.005 -0.434 . . . . 0.0 110.746 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -58.99 -48.27 82.19 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.19 -42.93 87.2 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.215 0.531 . . . . 0.0 110.187 177.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.0 m -57.07 -53.33 59.28 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.726 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -65.32 -36.82 85.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.386 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.8 -42.07 71.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.045 0.839 . . . . 0.0 109.559 176.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m -54.94 -19.91 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.6 -35.87 73.11 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.024 -1.047 . . . . 0.0 109.622 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.1 p -65.2 -32.56 74.3 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.813 0.279 . . . . 0.0 110.937 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -79.58 -52.24 8.26 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 124.004 0.922 . . . . 0.0 110.023 -178.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -66.65 -30.43 70.69 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.42 20.77 63.58 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.36 0.981 . . . . 0.0 111.431 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -78.78 52.74 1.26 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.23 1.015 . . . . 0.0 111.717 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -79.61 63.69 4.27 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.044 2.137 . . . . 0.0 105.947 177.093 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -98.6 -9.36 24.91 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -74.13 93.85 2.35 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -175.225 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -90.46 127.42 36.21 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.41 1.884 . . . . 0.0 110.898 -175.326 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.09 114.27 3.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.343 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.15 74.07 1.76 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 t -148.32 113.22 5.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.3 132.63 24.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.695 0.798 . . . . 0.0 110.796 -177.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.66 -57.03 4.93 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 -177.596 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.87 44.94 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.543 1.137 . . . . 0.0 110.1 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.43 53.11 2.4 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 120.936 -1.103 . . . . 0.0 109.578 -179.437 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 138.85 52.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -100.52 143.75 30.33 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.88 0.872 . . . . 0.0 108.896 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -131.77 158.84 40.17 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.147 0.579 . . . . 0.0 111.296 -178.112 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -57.39 9.15 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.687 1.595 . . . . 0.0 112.694 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.0 p -118.65 157.53 27.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.198 0.908 . . . . 0.0 109.108 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -52.3 -43.05 64.27 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.49 -27.31 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.578 -0.701 . . . . 0.0 112.614 -178.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -64.53 -48.3 75.6 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 ttp -56.48 -48.32 77.36 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.581 0.752 . . . . 0.0 109.291 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -57.91 -52.13 66.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.984 0.514 . . . . 0.0 110.065 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -51.84 -54.64 26.65 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 118.844 0.747 . . . . 0.0 109.656 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -54.8 -54.39 42.85 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.889 0.313 . . . . 0.0 110.583 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -53.96 -45.18 71.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.504 0.668 . . . . 0.0 109.673 -177.253 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -60.02 -62.43 1.87 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.39 0.614 . . . . 0.0 109.467 178.021 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.64 -45.07 18.93 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.1 2.16 . . . . 0.0 112.426 -179.046 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -96.15 -25.97 15.65 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.301 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -123.6 -24.12 4.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.832 1.196 . . . . 0.0 113.859 -172.554 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.0 t30 . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.068 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mt -94.17 145.58 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.245 1.418 . . . . 0.0 111.485 -174.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -56.16 128.52 35.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.441 1.897 . . . . 0.0 110.312 176.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.91 -44.28 4.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.536 1.934 . . . . 0.0 112.248 -179.551 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -76.57 64.46 2.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.299 1.04 . . . . 0.0 108.9 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.07 -61.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 128.987 2.915 . . . . 0.0 115.295 -176.577 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -42.44 -38.11 1.8 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.0 1.72 . . . . 0.0 113.006 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -52.34 -37.03 55.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.26 1.424 . . . . 0.0 112.197 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.0 13.15 56.93 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 123.808 0.718 . . . . 0.0 114.62 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.43 136.71 36.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.569 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.79 140.21 24.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.735 -1.126 . . . . 0.0 108.686 -178.319 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -144.01 -16.99 0.59 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 -173.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.32 -49.47 0.67 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.829 1.649 . . . . 0.0 113.462 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -75.03 110.4 9.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.79 -52.96 10.35 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.357 0.663 . . . . 0.0 111.848 -177.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -53.31 -42.08 66.3 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.354 0.525 . . . . 0.0 111.4 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -46.77 70.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.047 0.939 . . . . 0.0 109.569 -176.857 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -46.43 80.8 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 109.847 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.59 -45.68 84.97 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.736 0.814 . . . . 0.0 109.377 176.6 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -53.52 56.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -48.84 -53.08 20.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.711 0.687 . . . . 0.0 110.271 175.563 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -55.06 -21.25 11.85 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.205 -0.902 . . . . 0.0 113.138 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -55.04 -35.67 64.72 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.184 1.357 . . . . 0.0 110.949 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -62.22 -37.11 84.13 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.471 0.578 . . . . 0.0 112.24 178.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -84.96 -46.66 11.02 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.846 0.355 . . . . 0.0 111.455 -178.439 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.0 p -87.82 -28.9 21.35 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -172.683 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 8.42 87.84 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -172.67 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -78.1 148.67 34.1 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.777 1.289 . . . . 0.0 111.32 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -134.37 76.77 61.56 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.125 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -48.22 -25.75 7.31 Favored 'Trans proline' 0 N--CA 1.459 -0.502 1 C-N-CA 125.328 4.019 . . . . 0.0 118.762 -173.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -114.46 81.18 6.59 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 119.47 1.032 . . . . 0.0 111.722 -174.787 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.07 148.59 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.147 1.898 . . . . 0.0 110.941 178.362 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 -25.51 37.92 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.205 0.602 . . . . 0.0 110.692 178.698 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.08 -39.71 0.4 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.61 1.964 . . . . 0.0 115.532 176.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -42.06 136.64 2.09 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.972 1.309 . . . . 0.0 112.632 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -52.42 132.66 34.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.062 0.945 . . . . 0.0 109.281 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.2 -62.93 3.33 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -78.41 49.09 0.82 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.905 0.882 . . . . 0.0 110.897 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -82.65 60.7 5.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -69.01 163.91 23.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.589 0.756 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 104.32 0.72 Allowed Glycine 0 C--N 1.335 0.513 0 N-CA-C 107.354 -2.299 . . . . 0.0 107.354 175.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.94 149.23 23.17 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 118.524 1.162 . . . . 0.0 109.628 178.377 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -89.22 -7.71 54.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.091 0.956 . . . . 0.0 112.867 -178.17 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.2 p -152.19 150.84 30.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.268 0.94 . . . . 0.0 110.846 176.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.83 -39.13 76.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -47.29 84.62 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.162 -0.336 . . . . 0.0 110.233 179.654 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -58.05 -46.61 85.1 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.458 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.75 -42.2 75.07 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.823 0.344 . . . . 0.0 110.16 177.787 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 m -58.4 -53.19 61.07 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.98 0.512 . . . . 0.0 109.897 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.587 -1.245 . . . . 0.0 110.923 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.32 -42.28 73.55 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.499 -0.751 . . . . 0.0 109.971 176.346 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 m -55.34 -19.5 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.17 -35.22 69.29 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.923 0.783 . . . . 0.0 109.44 174.355 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -67.07 -35.19 79.29 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.896 0.478 . . . . 0.0 111.693 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -76.77 -47.59 21.23 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 p -66.93 -26.28 66.77 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.761 178.446 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.05 25.81 56.9 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 -177.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.03 49.2 1.2 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.867 0.867 . . . . 0.0 111.552 -178.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -81.46 69.69 8.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -118.69 6.17 11.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -169.759 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -77.03 82.03 3.55 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 119.661 1.118 . . . . 0.0 108.557 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -77.66 117.01 18.66 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 126.278 1.831 . . . . 0.0 110.652 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.39 114.09 2.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.74 70.73 1.9 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.946 0.498 . . . . 0.0 110.375 -177.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 t -146.62 117.33 7.59 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.298 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.84 138.49 18.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.257 0.623 . . . . 0.0 110.201 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.07 -59.95 4.49 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -177.441 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.43 49.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.578 0.751 . . . . 0.0 110.263 177.672 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.57 53.6 2.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.101 -0.999 . . . . 0.0 109.051 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.0 mt -71.16 125.71 27.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.624 0.77 . . . . 0.0 109.321 -178.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -92.83 114.41 26.96 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.806 1.243 . . . . 0.0 109.487 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -100.81 162.45 12.9 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.613 0.765 . . . . 0.0 110.887 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 p -76.0 -30.51 58.55 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.236 1.415 . . . . 0.0 112.668 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 p -141.26 156.37 45.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.135 0.879 . . . . 0.0 109.578 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.16 -43.35 87.39 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.445 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.87 88.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.654 -0.653 . . . . 0.0 111.414 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.7 -46.16 89.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.199 0.909 . . . . 0.0 109.699 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 ttp -56.12 -46.08 79.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.909 0.484 . . . . 0.0 110.379 176.656 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.54 -46.39 86.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.316 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -55.87 -48.51 75.42 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 119.767 1.167 . . . . 0.0 108.991 176.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -53.92 -53.05 58.04 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.45 -49.04 68.24 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.07 -0.394 . . . . 0.0 110.904 -179.324 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -55.94 -45.06 78.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.775 1.63 . . . . 0.0 110.532 177.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.9 -27.62 61.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.559 1.143 . . . . 0.0 112.824 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -114.14 -68.61 0.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -173.501 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -76.72 -27.9 55.63 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.656 -0.652 . . . . 0.0 112.531 -170.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.482 0 O4'-C1'-N19 110.651 3.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.14 1 O4'-C1'-N19 111.396 4.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.905 5.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 P-O3'-C3' 123.853 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 113.205 6.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C1'-N19 109.562 2.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 0 N19-C1'-C2' 109.968 -2.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 2 O4'-C1'-N19 112.655 6.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.665 0 P-O3'-C3' 122.752 2.543 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.491 1 O4'-C1'-N19 112.12 5.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.706 0 P-O3'-C3' 123.077 2.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.879 0 O4'-C1'-C2' 102.574 -3.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 0 C1'-O4'-C4' 105.605 -2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-N19 110.729 3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.917 1 O4'-C1'-N19 112.222 5.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.051 0 O4'-C1'-N19 110.972 3.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 P-O3'-C3' 123.105 2.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 O4'-C1'-C2' 102.84 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 1 O4'-C1'-N19 111.95 5.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-C2' 102.938 -2.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.763 1 O4'-C1'-N19 113.545 7.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.78 1 O4'-C1'-N19 113.195 6.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 0 O4'-C4'-C3' 108.37 2.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.559 0 O4'-C4'-C3' 108.19 2.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 1 O4'-C1'-N19 111.921 5.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.63 0 O4'-C1'-N19 110.155 2.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.889 1 O4'-C1'-N19 111.493 4.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 O4'-C4'-C3' 108.312 2.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.312 0 P-O3'-C3' 122.622 2.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.0 mtp . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.358 0.123 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -71.22 86.83 0.79 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.3 1.04 . . . . 0.0 110.467 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -63.02 128.71 37.14 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -77.47 126.94 31.7 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mt -90.7 143.61 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.592 0.757 . . . . 0.0 111.683 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -61.57 124.59 21.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.576 1.551 . . . . 0.0 110.332 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -42.77 -43.09 3.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.928 2.091 . . . . 0.0 112.828 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -75.71 63.23 1.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.277 1.031 . . . . 0.0 109.571 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.92 -65.29 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.153 2.981 . . . . 0.0 115.561 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.25 -37.25 2.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.964 1.705 . . . . 0.0 113.104 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.9 t -53.39 -35.89 60.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.316 1.446 . . . . 0.0 111.991 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.2 58.85 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.07 0.843 . . . . 0.0 114.739 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 142.74 31.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.599 1.2 . . . . 0.0 108.464 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.14 139.06 17.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.164 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -151.08 135.86 17.25 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -31.9 66.07 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.114 -0.991 . . . . 0.0 110.722 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -76.75 119.02 19.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -53.76 -48.35 69.81 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.126 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -52.39 -44.64 65.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.948 0.899 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -50.58 73.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.55 -35.9 79.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.861 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.41 -49.53 75.14 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 119.534 1.061 . . . . 0.0 109.102 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.22 74.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.617 0.367 . . . . 0.0 110.76 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -63.55 -60.34 3.47 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.839 -0.538 . . . . 0.0 109.823 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.56 -34.82 38.42 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.503 1.121 . . . . 0.0 112.274 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -52.73 -32.92 45.61 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.865 0.757 . . . . 0.0 111.321 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.42 -35.55 77.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.641 0.376 . . . . 0.0 111.601 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.13 -50.06 6.21 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.189 0.596 . . . . 0.0 110.955 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -82.1 -30.82 31.03 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.035 1.334 . . . . 0.0 114.517 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.48 7.99 87.09 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.38 144.4 35.98 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.927 1.363 . . . . 0.0 110.641 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -134.1 77.39 61.7 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 124.573 1.149 . . . . 0.0 108.57 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -47.86 -26.08 6.8 Favored 'Trans proline' 0 CA--C 1.533 0.459 1 C-N-CA 125.71 4.274 . . . . 0.0 119.23 -174.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -112.36 78.8 2.7 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 119.909 1.232 . . . . 0.0 111.68 -175.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -75.79 150.82 35.36 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.434 2.089 . . . . 0.0 111.978 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.23 -21.38 50.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.225 1.01 . . . . 0.0 111.309 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt 70.29 -47.0 0.62 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.642 1.977 . . . . 0.0 114.086 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -40.01 133.78 1.62 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.489 1.515 . . . . 0.0 113.158 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -55.63 138.16 47.7 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.715 0.806 . . . . 0.0 108.887 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.89 -65.86 2.87 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.94 50.45 1.02 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.63 0.715 . . . . 0.0 110.593 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.07 59.77 4.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -69.43 158.4 35.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.579 0.751 . . . . 0.0 109.4 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 98.74 0.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -88.73 143.47 26.9 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 p -90.4 -2.42 57.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.653 -0.654 . . . . 0.0 111.834 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -154.94 150.3 27.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 122.014 -0.429 . . . . 0.0 110.059 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 58' ' ' HIS . 2.5 tm? -74.12 164.34 26.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.592 ' N ' HD13 ' A' ' 57' ' ' LEU 0.32 1.9 t-80 74.48 -40.41 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.772 1.629 . . . . 0.0 112.427 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -59.41 -36.28 75.56 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 169.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.83 -43.7 98.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.364 1.066 . . . . 0.0 109.327 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -63.36 -48.03 79.63 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.116 -0.99 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -61.7 -40.15 93.99 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.373 0.988 . . . . 0.0 108.879 176.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -43.59 77.07 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.673 0.67 . . . . 0.0 109.208 173.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.0 m -54.57 -20.85 8.75 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.44 -34.55 69.08 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.119 0.872 . . . . 0.0 109.514 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.5 p -68.42 -33.87 74.98 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.304 0.641 . . . . 0.0 111.857 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -76.62 -47.55 21.95 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.9 p -69.08 -25.53 64.48 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.311 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.84 27.19 59.09 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -79.79 62.21 3.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.516 0.727 . . . . 0.0 111.949 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -75.91 117.21 17.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -145.97 -18.39 0.45 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -171.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.45 88.88 2.65 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.573 1.079 . . . . 0.0 109.006 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.6 m -77.87 118.91 20.65 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.485 1.914 . . . . 0.0 110.893 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.87 117.25 4.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.59 74.98 2.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t -149.86 113.32 4.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.54 131.78 25.17 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.709 0.804 . . . . 0.0 110.915 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.51 -56.21 4.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.69 44.26 0.44 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.02 1.328 . . . . 0.0 109.907 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.54 52.85 2.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 120.866 -1.146 . . . . 0.0 109.566 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.81 131.68 44.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -97.08 123.65 40.88 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.742 1.217 . . . . 0.0 109.149 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -109.64 161.07 15.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 0.0 111.391 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -71.98 -36.35 69.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.301 1.44 . . . . 0.0 112.718 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.6 p -135.72 158.05 45.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.529 0.604 . . . . 0.0 110.247 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -56.56 -44.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.71 97.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.83 -0.544 . . . . 0.0 111.208 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -61.41 -44.25 97.45 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.305 0.957 . . . . 0.0 109.443 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.23 -48.06 74.47 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -59.27 -51.23 70.84 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.571 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -51.09 -52.35 44.42 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 119.432 1.015 . . . . 0.0 109.413 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -56.05 -54.23 47.51 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.873 0.306 . . . . 0.0 110.18 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.06 -43.42 63.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.558 0.694 . . . . 0.0 110.426 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -65.0 -64.8 0.78 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.629 0.772 . . . . 0.0 109.093 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -45.68 -38.77 7.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.084 2.154 . . . . 0.0 113.235 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -102.74 -19.41 14.75 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -134.08 -64.48 0.69 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 120.237 1.38 . . . . 0.0 109.918 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.72 61.67 3.76 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 121.466 0.651 . . . . 0.0 110.893 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.09 -36.62 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm . . . . . 0 CA--C 1.532 0.251 0 O-C-N 121.852 -0.53 . . . . 0.0 109.601 177.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.609 0 O4'-C1'-N19 110.903 3.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.225 0 P-O3'-C3' 122.936 2.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.758 4.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 P-O3'-C3' 123.679 3.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.578 1 O4'-C1'-N19 111.916 5.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.508 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 0 O4'-C1'-N19 110.491 3.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.628 1 O4'-C1'-N19 111.974 5.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . 0.455 " H2'" ' CE ' ' A' ' 29' ' ' LYS . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.558 4.697 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.518 0 P-O3'-C3' 122.946 2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.553 0 O4'-C1'-N19 110.653 3.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.684 0 P-O3'-C3' 122.865 2.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.56 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 P-O3'-C3' 123.594 3.245 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.197 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.855 1 O4'-C1'-N19 111.164 4.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 109.931 2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 0 P-O3'-C3' 124.07 3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 P-O3'-C3' 122.858 2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.952 1 O4'-C1'-N19 111.139 4.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 1 O4'-C1'-N19 114.546 8.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.922 1 O4'-C1'-N19 112.739 6.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 0 O4'-C4'-C3' 108.317 2.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.678 0 O4'-C1'-C2' 103.416 -2.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 1 O4'-C1'-N19 111.725 4.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 0 O4'-C1'-C2' 102.927 -2.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.072 1 O4'-C1'-N19 111.268 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 0 O4'-C4'-C3' 108.231 2.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.196 0 P-O3'-C3' 122.67 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.673 0.273 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -71.38 100.09 2.11 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.317 0.647 . . . . 0.0 110.954 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -69.61 148.62 49.12 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 173.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -79.27 134.4 36.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 172.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.17 142.4 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.923 0.889 . . . . 0.0 109.872 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.83 123.19 17.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.636 1.174 . . . . 0.0 109.227 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 p -52.09 -36.78 51.93 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.608 1.563 . . . . 0.0 112.609 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.95 65.3 1.41 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.98 . . . . 0.0 109.701 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.72 -65.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.305 3.042 . . . . 0.0 115.283 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.64 -38.22 2.96 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.84 1.656 . . . . 0.0 113.012 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 t -56.99 -34.86 68.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.122 1.369 . . . . 0.0 112.068 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.04 29.52 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.558 1.075 . . . . 0.0 114.35 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.89 144.3 25.83 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.134 0.967 . . . . 0.0 109.042 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.58 144.96 20.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -151.12 152.77 33.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -82.48 -40.04 21.65 Favored 'General case' 0 C--O 1.227 -0.094 0 O-C-N 121.902 -0.499 . . . . 0.0 112.038 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -73.89 118.48 16.9 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.67 -54.38 9.7 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.432 1.093 . . . . 0.0 110.592 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 p-90 -52.08 -40.34 61.07 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.895 0.878 . . . . 0.0 110.93 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' CE ' " H2'" ' E' ' 9' ' ' ' DG' . 9.6 tptp -69.25 -48.71 61.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.929 -0.482 . . . . 0.0 109.744 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.41 -37.52 81.12 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.099 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -59.65 -47.9 83.8 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.875 1.216 . . . . 0.0 109.545 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.29 66.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.127 0.571 . . . . 0.0 110.345 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -67.71 -56.39 9.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.4 mt -48.0 -36.96 13.67 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 112.056 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 p -50.56 -34.07 24.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.049 0.386 . . . . 0.0 112.038 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -51.96 -43.16 63.39 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.793 0.837 . . . . 0.0 110.888 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -92.35 -49.33 6.21 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.873 0.869 . . . . 0.0 111.801 -177.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -81.76 -28.02 33.48 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.12 10.59 86.17 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -77.43 129.4 35.71 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.91 1.355 . . . . 0.0 109.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -128.22 82.21 68.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -48.34 -25.56 7.37 Favored 'Trans proline' 0 C--N 1.347 0.489 1 C-N-CA 125.525 4.15 . . . . 0.0 118.125 -174.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.59 81.57 3.31 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 119.162 0.892 . . . . 0.0 111.092 -176.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.59 154.04 39.49 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.755 2.303 . . . . 0.0 110.504 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.46 -24.36 34.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.927 0.891 . . . . 0.0 111.178 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? 68.18 -35.36 0.28 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.44 1.896 . . . . 0.0 115.813 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -45.85 137.92 5.24 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.918 0.887 . . . . 0.0 112.216 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -57.09 132.98 54.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -62.83 3.31 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.5 t -78.05 47.67 0.67 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.424 1.09 . . . . 0.0 110.353 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.2 60.88 6.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.4 162.45 22.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.84 110.99 1.38 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 107.609 -2.197 . . . . 0.0 107.609 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -112.46 152.83 28.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.672 0.789 . . . . 0.0 109.544 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -88.35 -17.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -142.55 158.85 43.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.45 -34.84 77.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -45.9 65.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.866 0.867 . . . . 0.0 108.792 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -58.48 -46.43 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.11 -41.3 87.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.438 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.2 m -60.36 -51.62 68.75 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.399 -0.813 . . . . 0.0 110.724 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -56.34 -37.2 69.66 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.029 0.832 . . . . 0.0 110.848 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -64.72 -48.8 73.31 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.985 -0.447 . . . . 0.0 110.238 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -51.52 -30.43 20.37 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.162 0.985 . . . . 0.0 112.259 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -49.64 -32.93 14.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.256 0.48 . . . . 0.0 111.636 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.2 p -64.34 -30.72 71.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.596 0.358 . . . . 0.0 111.503 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.81 -48.53 14.6 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.165 0.986 . . . . 0.0 109.515 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -71.83 -24.97 61.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.051 0.54 . . . . 0.0 110.907 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 35.77 41.01 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.0 51.35 1.13 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.821 0.819 . . . . 0.0 111.537 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -81.03 62.53 5.04 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.953 1.701 . . . . 0.0 107.506 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -118.46 3.66 11.82 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -76.13 87.16 3.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.923 1.238 . . . . 0.0 108.22 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.5 m -77.35 118.14 19.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.489 1.916 . . . . 0.0 111.161 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -60.89 117.42 5.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.53 74.29 1.96 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -149.26 112.77 5.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.03 131.3 22.99 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.82 0.848 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.33 -55.76 4.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.1 t -77.72 44.99 0.48 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.911 1.284 . . . . 0.0 109.926 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -83.84 52.28 2.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 120.813 -1.179 . . . . 0.0 109.593 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.26 134.11 49.88 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -103.28 112.59 25.53 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 124.152 0.981 . . . . 0.0 109.033 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -96.33 161.95 13.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.939 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -50.68 28.1 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 126.238 1.815 . . . . 0.0 111.687 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.1 p -117.91 155.66 29.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.707 0.685 . . . . 0.0 109.765 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.49 -40.8 79.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.13 93.13 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.761 -0.587 . . . . 0.0 111.123 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.28 -44.76 96.69 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.084 0.856 . . . . 0.0 108.701 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.9 ttp -55.71 -50.95 68.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -58.47 -48.48 80.63 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 123.109 0.564 . . . . 0.0 111.016 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -53.88 -52.78 59.39 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 119.103 0.865 . . . . 0.0 109.365 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -55.42 -54.68 40.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.566 0.222 . . . . 0.0 110.425 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -53.53 -43.4 68.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.83 0.824 . . . . 0.0 109.681 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -60.34 -61.93 2.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -48.16 -51.01 26.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.596 1.159 . . . . 0.0 112.558 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.98 -24.71 22.34 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 115.311 1.596 . . . . 0.0 115.311 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -123.87 -34.04 3.06 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.718 1.145 . . . . 0.0 113.274 -173.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -79.33 -66.43 0.87 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.557 1.071 . . . . 0.0 108.389 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.7 pt -90.61 16.53 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.17 0.588 . . . . 0.0 111.801 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 CA--C 1.531 0.214 0 C-N-CA 124.19 0.996 . . . . 0.0 111.837 177.813 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.192 0 P-O3'-C3' 122.727 2.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 0 O4'-C1'-N19 110.618 3.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 P-O3'-C3' 123.001 2.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.563 1 O4'-C1'-N19 111.758 4.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 O4'-C1'-N19 110.251 3.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 0 N19-C1'-C2' 110.223 -2.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 0 O4'-C1'-C2' 102.876 -2.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.455 1 O4'-C1'-N19 113.207 6.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.778 0 P-O3'-C3' 123.981 3.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.583 1 O4'-C1'-N19 112.042 5.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O4'-C1'-N19 109.728 2.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.851 1 O4'-C1'-N19 112.101 5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.279 0 P-O3'-C3' 122.762 2.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 1 O4'-C1'-N19 111.523 4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.678 0 O4'-C1'-N19 110.356 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 P-O3'-C3' 123.267 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 O4'-C1'-C2' 102.989 -2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.776 1 O4'-C1'-N19 112.452 5.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 P-O3'-C3' 123.198 2.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 112.131 5.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.798 1 O4'-C1'-N19 112.789 6.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C4'-C3' 108.285 2.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 P-O3'-C3' 122.906 2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.735 1 O4'-C1'-N19 111.877 5.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-C2' 103.403 -2.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 1 O4'-C1'-N19 111.822 5.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C4'-C3' 108.154 2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-N19 110.21 3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -85.59 94.36 9.03 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -50.04 119.84 3.93 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.066 0.546 . . . . 0.0 110.784 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -76.2 130.07 37.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -91.79 143.81 10.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.566 0.746 . . . . 0.0 111.768 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 t -63.23 122.14 15.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.221 1.808 . . . . 0.0 110.839 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.45 -33.33 13.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 126.64 1.976 . . . . 0.0 113.634 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.37 75.47 0.54 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.681 0.793 . . . . 0.0 110.423 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.21 128.94 4.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.712 1.205 . . . . 0.0 109.799 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 106.07 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 128.806 2.842 . . . . 0.0 109.136 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -58.86 -43.63 90.86 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 109.975 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.32 23.37 66.39 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.011 0.815 . . . . 0.0 114.713 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.57 149.7 26.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.54 144.19 22.58 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -146.01 149.68 34.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.389 0.541 . . . . 0.0 111.294 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -71.27 -47.71 55.31 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.118 0.967 . . . . 0.0 112.924 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.06 136.26 33.11 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.193 -0.317 . . . . 0.0 110.628 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -54.32 -47.6 72.3 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 119.317 -0.373 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.3 p-90 -55.76 -39.35 71.08 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.42 0.688 . . . . 0.0 111.204 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -66.15 -46.3 77.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.8 -41.16 95.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.981 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -58.65 -47.05 85.74 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.277 0.944 . . . . 0.0 109.788 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.41 77.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -61.67 -55.58 28.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.209 174.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -47.53 -38.52 14.24 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.163 0.985 . . . . 0.0 112.549 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 p -50.19 -33.1 18.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.62 0.645 . . . . 0.0 111.444 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -54.5 -43.18 71.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.362 0.665 . . . . 0.0 111.457 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -90.58 -51.1 5.57 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 111.308 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 p -76.7 -31.53 57.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.047 1.339 . . . . 0.0 113.84 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.95 8.63 78.5 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -171.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 147.26 33.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.789 1.294 . . . . 0.0 110.864 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -134.82 76.87 58.69 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -47.39 -24.49 4.09 Favored 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.53 4.153 . . . . 0.0 119.208 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.64 83.82 5.94 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 119.498 1.045 . . . . 0.0 111.859 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.57 152.0 33.19 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.465 2.11 . . . . 0.0 111.346 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.4 t -80.14 -16.93 53.85 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.975 0.91 . . . . 0.0 112.179 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 70.54 -50.17 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.437 1.895 . . . . 0.0 114.14 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -39.86 132.1 1.79 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.769 1.628 . . . . 0.0 113.154 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -56.71 139.51 50.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.8 -65.03 2.94 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.73 48.78 0.84 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.021 0.928 . . . . 0.0 110.108 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -82.89 60.54 5.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.61 160.22 28.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.522 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.07 108.88 1.08 Allowed Glycine 0 C--N 1.334 0.446 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -105.69 150.02 25.85 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.135 0.967 . . . . 0.0 109.635 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -88.61 -9.05 53.53 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.967 0.907 . . . . 0.0 112.664 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -150.05 148.76 29.4 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.702 0.683 . . . . 0.0 110.391 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.2 -37.0 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -49.51 76.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 122.0 -0.437 . . . . 0.0 110.479 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -62.09 -39.5 92.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.134 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.22 -40.37 81.49 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.621 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m -61.99 -49.2 77.0 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.575 -0.703 . . . . 0.0 109.825 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -59.8 -43.87 94.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.946 0.794 . . . . 0.0 109.762 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.17 -43.36 78.31 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.752 -0.592 . . . . 0.0 109.717 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -20.53 11.68 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.3 mt -56.25 -35.04 66.95 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.403 1.001 . . . . 0.0 109.634 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -68.57 -35.23 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -76.9 -47.29 21.55 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.6 p -67.96 -28.98 67.93 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.493 0.317 . . . . 0.0 110.769 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.74 30.24 48.96 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -79.51 45.95 0.71 Allowed 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.736 -0.861 . . . . 0.0 111.973 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -81.25 64.7 6.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.402 1.481 . . . . 0.0 107.982 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -115.94 7.37 14.4 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -76.13 85.05 2.98 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 119.647 1.112 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 m -77.82 122.3 25.24 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.054 2.142 . . . . 0.0 111.835 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 t -59.98 119.98 8.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 173.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.56 73.15 1.95 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 122.561 0.344 . . . . 0.0 110.177 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -152.5 116.62 4.91 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.39 138.75 26.36 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.02 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.98 -59.64 4.49 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.07 46.02 0.57 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.505 1.122 . . . . 0.0 110.113 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.12 52.1 2.11 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.928 -1.107 . . . . 0.0 109.456 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.5 128.85 37.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -100.68 119.47 38.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 108.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.07 161.92 13.26 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.948 0.899 . . . . 0.0 111.025 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 p -67.95 -50.92 53.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.032 1.333 . . . . 0.0 111.064 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 p -118.08 155.12 30.92 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.701 0.762 . . . . 0.0 110.527 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -57.98 -42.57 85.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.242 175.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.23 92.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.552 -0.718 . . . . 0.0 111.201 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.13 -46.34 88.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.313 0.96 . . . . 0.0 108.933 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.7 ttp -56.21 -48.37 76.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.87 0.468 . . . . 0.0 110.249 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -58.41 -52.31 66.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.244 0.617 . . . . 0.0 110.172 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -54.74 -45.46 74.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.752 0.705 . . . . 0.0 110.119 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -58.87 -53.63 56.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.994 -0.441 . . . . 0.0 110.001 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.71 -42.83 71.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.027 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -58.56 -64.86 0.78 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -47.99 -52.74 18.63 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.723 1.209 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -88.2 -24.98 23.14 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -124.67 -42.1 2.09 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.504 1.047 . . . . 0.0 112.933 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -40.44 62.31 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.626 1.103 . . . . 0.0 110.038 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.7 pt -119.43 32.48 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 123.839 0.856 . . . . 0.0 109.626 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 124.7 1.2 . . . . 0.0 111.719 179.104 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 O4'-C1'-N19 110.705 3.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.471 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.029 4.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.575 0 P-O3'-C3' 123.576 3.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.503 1 O4'-C1'-N19 112.712 6.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.561 0 O4'-C4'-C3' 108.534 2.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.234 4.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 1 O4'-C1'-N19 112.526 5.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.089 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.737 0 O4'-C1'-C2' 103.038 -2.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.423 1 O4'-C1'-N19 111.184 4.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 P-O3'-C3' 123.343 3.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 P-O3'-C3' 122.802 2.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.526 0 C1'-O4'-C4' 105.462 -3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 0 O4'-C1'-N19 110.292 3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.799 0 O4'-C1'-C2' 103.161 -2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.109 0 P-O3'-C3' 122.76 2.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 0 P-O3'-C3' 123.816 3.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.834 1 O4'-C1'-C2' 101.681 -4.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 1 O4'-C1'-N19 112.443 5.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C1'-N19 110.175 2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . 0.526 ' H41' ' CD2' ' A' ' 58' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.542 1 O4'-C1'-N19 114.437 8.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.826 1 O4'-C1'-N19 114.387 8.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O4'-C1'-N19 109.92 2.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 0 P-O3'-C3' 122.761 2.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.871 1 O4'-C1'-N19 111.775 4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 O4'-C1'-N19 110.734 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.933 0 O4'-C1'-N19 110.74 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.513 0 O4'-C4'-C3' 108.319 2.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.294 0 P-O3'-C3' 122.519 2.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.6 mtp . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 120.629 0.252 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -60.13 129.05 39.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -61.55 133.83 56.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -90.79 127.67 36.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 14' ' ' ILE . 2.1 mp -86.81 142.03 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 123.991 0.916 . . . . 0.0 110.015 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -61.74 125.89 25.41 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.209 1.403 . . . . 0.0 111.111 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.95 -43.21 13.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.083 1.753 . . . . 0.0 112.308 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -74.97 67.64 1.71 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.3 -61.01 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.379 2.672 . . . . 0.0 115.133 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.26 -37.08 3.03 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.837 1.655 . . . . 0.0 113.219 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -54.08 -35.0 61.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.58 1.552 . . . . 0.0 111.527 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.77 57.54 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.245 0.926 . . . . 0.0 113.526 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.67 150.99 20.34 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.39 147.78 25.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -143.69 152.95 41.96 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 118.093 0.406 . . . . 0.0 111.938 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -39.33 -56.06 1.62 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 127.189 2.195 . . . . 0.0 115.919 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -125.6 160.48 29.5 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -49.11 -54.0 18.14 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.779 1.632 . . . . 0.0 110.566 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -55.14 -42.38 72.98 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.347 0.659 . . . . 0.0 110.944 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -67.71 -43.48 79.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 30' ' ' LEU . 23.4 tp -59.53 -41.11 89.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.949 177.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.02 -45.89 91.28 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.956 0.798 . . . . 0.0 109.769 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.164 -0.335 . . . . 0.0 110.433 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -63.91 -55.82 19.82 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.743 -0.598 . . . . 0.0 109.566 174.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -52.01 -30.71 26.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.539 1.136 . . . . 0.0 111.914 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 p -54.63 -31.13 56.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.36 0.982 . . . . 0.0 110.885 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -63.24 -33.29 75.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.134 0.573 . . . . 0.0 111.212 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.75 -49.66 6.51 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.657 0.783 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.8 p -88.69 -30.71 18.92 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.843 1.657 . . . . 0.0 115.323 -171.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.81 7.18 88.85 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -172.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.82 133.18 38.25 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.054 1.427 . . . . 0.0 110.639 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -130.44 81.93 66.67 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -52.28 -20.85 12.02 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 125.286 3.99 . . . . 0.0 118.722 -173.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -113.02 76.88 2.44 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 119.777 1.171 . . . . 0.0 111.561 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.33 142.49 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.028 2.486 . . . . 0.0 110.212 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.56 -17.72 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.068 1.347 . . . . 0.0 112.273 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 71.53 -44.95 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.511 1.924 . . . . 0.0 114.292 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -43.14 133.84 3.77 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.526 1.13 . . . . 0.0 112.748 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.36 134.73 56.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.1 -63.29 3.25 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.96 46.19 0.57 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.445 1.098 . . . . 0.0 110.356 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.01 60.03 5.99 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -65.62 137.67 57.5 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.23 91.82 1.11 Allowed Glycine 0 CA--C 1.52 0.348 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -90.47 156.44 18.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.841 0.821 . . . . 0.0 110.016 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -100.8 -7.9 23.19 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -148.86 156.68 42.66 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.287 0.948 . . . . 0.0 109.324 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.11 -43.31 95.7 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.526 ' CD2' ' H41' ' F' ' 22' ' ' ' DC' . 61.4 t60 -61.64 -48.56 80.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.631 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -53.74 -48.04 70.05 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.1 -40.35 89.31 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.188 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -62.49 -52.71 62.41 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.469 -0.769 . . . . 0.0 110.12 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -58.82 -38.45 78.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.177 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -58.99 -49.86 76.3 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.909 -0.494 . . . . 0.0 110.793 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -24.8 27.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -52.14 -31.93 33.39 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.69 0.677 . . . . 0.0 110.888 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -65.54 -29.77 70.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.591 0.356 . . . . 0.0 111.523 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.65 -48.24 15.44 Favored 'General case' 0 CA--C 1.522 -0.129 0 C-N-CA 124.055 0.942 . . . . 0.0 109.277 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -71.74 -25.06 61.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.53 32.54 46.39 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.22 58.03 2.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.9 0.857 . . . . 0.0 111.267 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.51 77.26 5.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -121.29 -3.71 9.46 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -169.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -76.8 87.48 3.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 119.448 1.022 . . . . 0.0 108.394 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.59 117.69 19.26 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.824 2.05 . . . . 0.0 111.265 -173.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.07 116.54 4.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.72 74.56 2.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -148.89 113.52 5.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.76 132.37 26.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.63 0.772 . . . . 0.0 110.76 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.48 -56.82 4.9 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.6 t -77.87 46.13 0.55 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.5 1.12 . . . . 0.0 109.96 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.58 51.47 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 120.819 -1.176 . . . . 0.0 109.368 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.69 134.46 48.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -102.41 125.83 49.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -110.72 164.08 13.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.163 0.985 . . . . 0.0 111.296 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -68.04 -39.03 83.16 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.033 1.733 . . . . 0.0 113.038 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 p -136.74 163.41 30.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.234 0.925 . . . . 0.0 110.144 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -57.99 -38.79 76.77 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.26 85.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.736 -0.603 . . . . 0.0 111.509 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -59.89 -48.1 83.07 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.4 ttp -54.32 -49.69 69.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.373 0.669 . . . . 0.0 110.029 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -59.97 -48.33 82.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.419 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.45 -50.12 65.95 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.693 1.133 . . . . 0.0 109.677 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -56.41 -54.09 49.72 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.14 -42.63 69.74 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.998 0.904 . . . . 0.0 110.536 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -60.88 -61.67 2.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -52.9 -43.77 66.44 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.643 1.577 . . . . 0.0 113.474 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.32 -24.29 17.47 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -128.99 -46.04 1.25 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.571 1.078 . . . . 0.0 113.366 -173.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -47.41 31.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.234 0.925 . . . . 0.0 112.131 -174.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 pt -79.58 -35.39 16.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 119.049 0.84 . . . . 0.0 109.093 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.966 0.906 . . . . 0.0 110.031 179.569 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.131 0 O4'-C1'-N19 109.98 2.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.902 5.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.629 0 O4'-C1'-N19 110.176 2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.495 1 O4'-C1'-N19 111.963 5.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-N19 110.208 3.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.777 0 N19-C1'-C2' 108.217 -3.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 1 O4'-C1'-N19 112.439 5.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O4'-C1'-N19 110.48 3.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 O4'-C1'-C2' 102.765 -3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 1 O4'-C1'-N19 112.093 5.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 P-O3'-C3' 122.441 2.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 0 O4'-C1'-C2' 102.622 -3.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.541 0 C1'-O4'-C4' 105.497 -3.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 O4'-C1'-N19 110.921 3.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.412 0 O4'-C1'-C2' 103.32 -2.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.158 0 P-O3'-C3' 123.235 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.471 0 P-O3'-C3' 123.516 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 O4'-C4'-C3' 108.235 2.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 1 O4'-C1'-N19 111.778 4.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 122.84 2.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.754 1 O4'-C1'-N19 113.549 7.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 1 O4'-C1'-N19 112.436 5.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C4'-C3' 108.115 2.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.759 0 P-O3'-C3' 122.603 2.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.876 1 O4'-C1'-N19 111.605 4.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.618 0 O4'-C1'-C2' 102.721 -3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.994 1 O4'-C1'-N19 111.654 4.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 0 O4'-C4'-C3' 108.176 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.558 0 O4'-C1'-N19 110.597 3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.9 mtm . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -62.01 140.16 58.37 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.421 0.629 . . . . 0.0 112.093 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' H ' ' CB ' ' A' ' 25' ' ' ASN . 2.2 mpt_? 74.9 80.29 0.11 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 128.959 2.904 . . . . 0.0 108.436 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -74.42 132.99 42.44 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -87.36 148.28 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.362 1.465 . . . . 0.0 111.454 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -66.87 126.0 27.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.902 2.081 . . . . 0.0 110.039 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -40.01 -43.43 1.56 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 126.811 2.044 . . . . 0.0 113.356 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -75.67 62.35 1.46 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.306 1.042 . . . . 0.0 109.484 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.35 -65.89 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 129.2 3.0 . . . . 0.0 115.626 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.0 -36.67 1.64 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.072 1.749 . . . . 0.0 113.106 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -52.53 -35.57 53.71 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.672 1.589 . . . . 0.0 111.939 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 18.08 61.34 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.936 0.779 . . . . 0.0 114.758 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.06 140.16 32.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.58 148.19 27.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.422 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -143.22 -50.07 0.33 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 104.55 -41.42 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 128.338 2.655 . . . . 0.0 112.263 -177.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HZ3' ' HA ' ' A' ' 26' ' ' LYS . 2.2 mmmp? -75.59 116.05 15.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -47.74 -51.91 20.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.436 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -53.42 -44.38 68.72 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.341 0.656 . . . . 0.0 111.109 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.52 -48.14 73.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -177.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.67 -42.16 96.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.826 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.35 -47.37 86.36 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.84 0.746 . . . . 0.0 109.686 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -37.16 71.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.125 0.57 . . . . 0.0 110.169 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -66.7 -56.75 9.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -47.05 -39.66 13.37 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.105 0.962 . . . . 0.0 112.256 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -51.3 -32.12 23.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.487 0.585 . . . . 0.0 111.985 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -60.06 -35.58 75.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.916 0.486 . . . . 0.0 110.86 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.43 -51.15 5.42 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.063 0.945 . . . . 0.0 111.333 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.4 p -80.35 -31.56 37.93 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.049 1.74 . . . . 0.0 114.47 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.97 7.22 87.56 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 119.508 -0.607 . . . . 0.0 111.597 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.68 139.08 38.55 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.051 1.425 . . . . 0.0 110.671 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -128.4 83.46 66.08 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 124.441 1.096 . . . . 0.0 109.444 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -50.3 -27.39 17.81 Favored 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 125.638 4.225 . . . . 0.0 118.617 -175.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.03 83.12 1.24 Allowed Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 119.299 0.954 . . . . 0.0 111.325 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.69 149.73 49.24 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.374 2.049 . . . . 0.0 110.608 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.52 -18.62 47.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.492 0.717 . . . . 0.0 111.738 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.3 -43.18 0.48 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.64 1.976 . . . . 0.0 115.479 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -43.55 135.41 3.71 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.485 1.114 . . . . 0.0 112.641 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.23 137.21 57.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.19 -64.36 3.15 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.55 46.43 0.64 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.376 1.07 . . . . 0.0 110.123 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -84.43 60.3 5.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.239 -0.913 . . . . 0.0 108.678 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -68.66 167.11 15.87 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.067 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.34 114.96 2.04 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 106.823 -2.511 . . . . 0.0 106.823 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -111.61 151.51 28.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.025 0.93 . . . . 0.0 109.92 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.89 -1.92 41.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -174.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.6 p -154.47 155.69 35.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.513 1.051 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.44 -46.19 89.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -61.9 -43.67 98.36 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.389 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -46.16 80.66 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.577 0.626 . . . . 0.0 109.567 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.1 -42.31 94.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.786 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.6 m -59.08 -53.54 57.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.044 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 -57.76 -41.07 81.2 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.262 0.937 . . . . 0.0 110.281 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.2 -49.96 74.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.123 0.419 . . . . 0.0 110.589 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 p -58.03 -19.93 35.06 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.09 -32.44 68.07 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.45 -0.781 . . . . 0.0 109.644 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -65.11 -34.49 78.53 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.07 0.395 . . . . 0.0 111.149 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.6 -51.84 8.76 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.628 0.771 . . . . 0.0 109.79 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.5 p -68.06 -30.22 69.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.263 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.01 19.72 66.72 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.103 0.859 . . . . 0.0 111.527 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -78.46 55.19 1.56 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.115 0.958 . . . . 0.0 111.419 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.33 67.65 5.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.461 1.904 . . . . 0.0 106.113 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -102.63 -4.71 24.76 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -75.51 84.92 2.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 119.297 0.953 . . . . 0.0 109.337 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -79.95 123.23 27.6 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.979 2.112 . . . . 0.0 111.173 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.1 120.34 9.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -76.48 66.7 2.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.788 0.835 . . . . 0.0 110.5 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 t -145.51 116.12 7.66 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.85 139.67 26.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.882 0.473 . . . . 0.0 109.972 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.22 -60.61 4.47 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 108.788 -1.725 . . . . 0.0 108.788 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.34 48.95 0.8 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.981 0.912 . . . . 0.0 109.861 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -83.19 52.48 2.2 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.944 -1.097 . . . . 0.0 109.072 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.28 131.63 45.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -94.73 136.69 34.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.96 159.13 27.58 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.066 0.946 . . . . 0.0 110.164 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 p -72.12 -32.52 67.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.257 1.023 . . . . 0.0 112.787 -178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -137.38 158.1 45.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.925 0.784 . . . . 0.0 110.592 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -56.88 -43.97 81.82 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.266 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.94 -45.22 93.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.603 1.092 . . . . 0.0 109.214 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.1 ttp -55.2 -48.17 74.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.858 0.463 . . . . 0.0 109.801 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -60.72 -47.64 85.38 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.861 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.96 -51.33 61.84 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 119.802 1.183 . . . . 0.0 109.044 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -55.87 -54.07 49.09 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.365 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.73 -43.9 66.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.846 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -66.8 0.46 Allowed 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.271 1.028 . . . . 0.0 108.511 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -45.58 -36.49 4.73 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.331 1.852 . . . . 0.0 113.453 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -105.25 -65.56 1.04 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -175.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -78.71 -35.68 44.55 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -171.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.56 -39.56 45.39 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 119.392 0.996 . . . . 0.0 108.969 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.2 mm -76.32 -26.82 17.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 122.868 0.467 . . . . 0.0 111.184 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm . . . . . 0 C--N 1.338 0.074 0 C-N-CA 124.699 1.2 . . . . 0.0 109.089 -178.484 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.835 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.019 0 P-O3'-C3' 122.873 2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.894 5.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.072 2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.491 1 O4'-C1'-N19 112.482 5.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 O4'-C1'-N19 110.806 3.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.45 0 N19-C1'-C2' 108.996 -3.252 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 109.62 2.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 1 O4'-C1'-N19 112.424 5.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.904 0 O4'-C4'-C3' 108.33 2.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.991 1 O4'-C1'-N19 113.051 6.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 P-O3'-C3' 122.697 2.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.861 0 O4'-C1'-C2' 102.501 -3.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.371 0 C1'-O4'-C4' 105.969 -2.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.836 0 O4'-C1'-N19 110.419 3.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.786 0 O4'-C1'-C2' 102.961 -2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.931 1 O4'-C1'-N19 112.846 6.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 122.687 2.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C1'-C2' 102.648 -3.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.749 1 O4'-C1'-N19 112.706 6.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . 0.404 ' H72' ' ND1' ' A' ' 58' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -2.727 0 O4'-C1'-N19 110.223 3.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . 0.497 ' H41' ' CD2' ' A' ' 58' ' ' HIS . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 113.881 7.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.668 1 O4'-C1'-N19 113.668 7.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C4'-C3' 108.381 2.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.777 0 P-O3'-C3' 122.553 2.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 1 O4'-C1'-N19 112.458 5.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.619 0 P-O3'-C3' 122.702 2.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.979 1 O4'-C1'-N19 111.554 4.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.585 0 O4'-C4'-C3' 108.268 2.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.705 0 O4'-C1'-N19 110.257 3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpp? . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -57.73 131.0 48.97 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.62 0.368 . . . . 0.0 110.279 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -74.11 121.78 21.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -78.72 123.76 27.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.1 mt -92.68 142.92 12.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.471 0.708 . . . . 0.0 110.913 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 132.56 54.03 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.626 1.17 . . . . 0.0 110.647 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 p -55.21 -42.67 73.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.287 1.435 . . . . 0.0 111.567 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -75.28 65.2 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.206 1.002 . . . . 0.0 109.887 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.02 -63.48 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 129.227 3.011 . . . . 0.0 115.4 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.35 -38.11 2.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.866 1.666 . . . . 0.0 112.969 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -53.8 -35.99 61.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.345 1.458 . . . . 0.0 111.987 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.83 25.3 58.89 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.34 0.971 . . . . 0.0 113.792 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.36 24.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.931 0.865 . . . . 0.0 108.792 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.51 144.99 24.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.65 141.23 29.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.545 0.611 . . . . 0.0 112.332 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 0.55 0.13 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 118.117 2.636 . . . . 0.0 118.117 -174.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 150.93 29.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.109 1.322 . . . . 0.0 111.525 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -55.47 -56.47 19.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.89 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -53.59 -41.85 67.03 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.971 0.908 . . . . 0.0 110.708 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -61.49 -50.47 72.61 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.35 -38.07 85.6 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.289 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.37 -47.42 81.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 119.944 1.247 . . . . 0.0 110.003 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.76 -45.67 78.03 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -59.05 -53.87 53.55 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.352 -0.843 . . . . 0.0 110.559 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -54.2 -31.97 54.41 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.901 0.88 . . . . 0.0 111.953 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.1 p -54.24 -30.89 51.85 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.395 0.998 . . . . 0.0 110.736 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -58.88 -41.68 87.71 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.231 0.613 . . . . 0.0 111.258 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -86.0 -50.38 7.1 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.515 0.726 . . . . 0.0 111.368 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -84.28 -29.95 26.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -171.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.24 8.59 83.65 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.77 150.7 32.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.807 1.303 . . . . 0.0 111.062 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -134.99 77.4 56.37 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -48.25 -22.01 3.5 Favored 'Trans proline' 0 C--N 1.346 0.407 1 C-N-CA 125.786 4.324 . . . . 0.0 119.223 -173.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.67 79.58 2.5 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 119.592 1.087 . . . . 0.0 111.484 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -73.02 143.99 37.24 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.494 2.129 . . . . 0.0 110.342 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -77.21 -10.38 59.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.973 1.309 . . . . 0.0 113.672 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm 71.65 -53.86 0.68 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.079 1.752 . . . . 0.0 113.754 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -41.71 131.55 3.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.846 1.658 . . . . 0.0 113.391 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.19 138.82 57.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.24 -63.99 3.21 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.49 45.29 0.56 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.715 1.206 . . . . 0.0 109.597 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -84.31 59.22 5.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.226 -0.921 . . . . 0.0 108.65 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -65.91 157.49 30.5 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.88 105.48 1.0 Allowed Glycine 0 C--N 1.333 0.395 0 N-CA-C 106.706 -2.558 . . . . 0.0 106.706 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.8 148.7 24.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.977 0.888 . . . . 0.0 110.536 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 p -91.53 -10.88 39.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.411 1.084 . . . . 0.0 111.947 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.3 p -143.95 150.1 37.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.726 0.693 . . . . 0.0 111.081 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.48 -40.68 87.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.497 ' CD2' ' H41' ' F' ' 22' ' ' ' DC' . 6.0 t60 -57.36 -50.89 71.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.157 177.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.18 -40.42 89.92 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.248 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.64 -43.12 99.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.408 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -61.73 -53.13 60.17 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.51 0.724 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -61.39 -41.02 96.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -54.7 -47.04 74.18 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.786 -0.571 . . . . 0.0 109.59 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -54.32 -25.51 24.34 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.14 -32.45 62.11 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.246 0.93 . . . . 0.0 110.311 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 p -66.46 -30.82 71.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.976 0.353 . . . . 0.0 110.994 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.06 -49.13 13.16 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.017 0.927 . . . . 0.0 109.339 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.5 p -73.06 -23.38 60.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.94 26.61 59.99 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -80.32 49.11 1.09 Allowed 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.675 -0.897 . . . . 0.0 111.92 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -79.09 62.73 3.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.657 1.983 . . . . 0.0 108.317 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -104.01 5.22 35.27 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -76.12 85.59 2.98 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 120.247 1.385 . . . . 0.0 108.843 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.7 m -78.0 124.48 28.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.659 1.984 . . . . 0.0 111.522 -173.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.4 t -65.08 118.76 9.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.66 73.54 2.01 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -150.48 110.73 4.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.31 132.52 24.44 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.794 0.838 . . . . 0.0 110.964 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.7 -56.22 4.91 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.1 t -77.85 44.59 0.47 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.072 1.349 . . . . 0.0 109.737 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -84.31 52.66 2.4 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 120.837 -1.164 . . . . 0.0 109.763 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.34 134.99 53.72 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -105.98 120.22 41.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 124.072 0.949 . . . . 0.0 108.496 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -108.25 167.18 10.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.211 1.004 . . . . 0.0 111.681 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -68.49 -46.46 69.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.535 1.534 . . . . 0.0 113.139 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 p -132.86 162.95 30.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.265 0.939 . . . . 0.0 109.962 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.55 -51.07 51.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.304 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 -30.69 70.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -62.97 -49.58 74.17 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -57.41 -42.95 83.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.85 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.32 -53.65 54.04 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.015 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -50.53 -52.2 40.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.235 0.925 . . . . 0.0 109.456 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -55.72 -55.59 30.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.563 0.22 . . . . 0.0 110.469 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -51.79 -43.53 63.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.574 0.75 . . . . 0.0 110.11 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -63.28 -61.05 2.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.666 0.786 . . . . 0.0 109.584 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -50.68 -40.96 55.06 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.496 1.119 . . . . 0.0 113.178 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -99.66 -19.87 16.59 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -134.02 -63.15 0.74 Allowed 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 119.867 1.212 . . . . 0.0 110.188 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.66 60.02 3.21 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.667 0.667 . . . . 0.0 111.206 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.6 mt -75.65 -35.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 CA--C 1.533 0.296 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.338 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.455 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 P-O3'-C3' 122.907 2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.499 1 O4'-C1'-N19 111.657 4.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 P-O3'-C3' 123.879 3.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.517 1 O4'-C1'-N19 112.595 5.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 0 N19-C1'-C2' 108.973 -3.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.351 2 O4'-C1'-N19 112.311 5.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 P-O3'-C3' 123.394 3.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 O4'-C1'-C2' 102.74 -3.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.476 1 O4'-C1'-N19 111.853 5.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C1'-N19 109.891 2.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.862 1 O4'-C1'-N19 112.738 6.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.207 0 P-O3'-C3' 122.619 2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 O4'-C1'-N19 111.154 4.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 0 O4'-C1'-N19 110.683 3.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.826 0 O4'-C1'-C2' 102.359 -3.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 P-O3'-C3' 123.603 3.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.735 0 O4'-C1'-C2' 103.191 -2.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 1 O4'-C1'-N19 112.727 6.158 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 109.976 2.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.267 1 O4'-C1'-N19 112.051 5.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.896 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 0 N19-C1'-C2' 110.02 -2.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.41 0 O4'-C4'-C3' 108.243 2.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 1 O4'-C1'-N19 111.825 5.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.481 0 P-O3'-C3' 122.712 2.51 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.919 1 O4'-C1'-N19 111.885 5.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C4'-C3' 108.038 2.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 O4'-C1'-N19 110.247 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtt . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -82.31 99.68 9.49 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -57.3 122.39 12.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.403 0.281 . . . . 0.0 110.461 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -78.17 129.76 35.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.55 143.93 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.59 122.97 16.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.363 1.465 . . . . 0.0 110.444 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -45.87 -40.4 9.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 126.392 1.877 . . . . 0.0 112.842 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -75.58 63.66 1.56 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.247 1.019 . . . . 0.0 109.534 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.88 -65.8 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 129.182 2.993 . . . . 0.0 115.494 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.37 -37.38 2.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 113.094 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.2 t -54.18 -35.74 62.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.15 1.38 . . . . 0.0 112.131 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.79 25.59 61.63 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.158 0.885 . . . . 0.0 114.256 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.51 146.11 24.36 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.125 0.963 . . . . 0.0 108.477 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.24 146.88 24.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -147.75 153.07 38.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.558 0.617 . . . . 0.0 110.871 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -73.98 -48.74 28.29 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.176 0.99 . . . . 0.0 112.424 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -84.74 131.46 34.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.843 -0.536 . . . . 0.0 110.101 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.86 -45.35 70.96 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.217 -0.302 . . . . 0.0 110.82 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -56.6 -38.27 71.81 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.332 0.653 . . . . 0.0 111.596 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -63.4 -48.97 75.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.05 -38.22 85.4 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.293 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -60.14 -48.23 82.61 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 119.606 1.094 . . . . 0.0 109.602 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.89 -47.03 74.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.25 -56.93 15.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.807 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -52.36 -31.85 35.6 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.558 1.143 . . . . 0.0 112.291 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 p -53.05 -31.95 44.2 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.073 0.851 . . . . 0.0 111.134 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.17 -40.38 81.31 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.38 0.536 . . . . 0.0 111.573 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.09 -48.04 7.68 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.258 0.623 . . . . 0.0 111.341 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -83.2 -30.31 27.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.38 83.92 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -172.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -79.09 144.36 34.65 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.797 1.298 . . . . 0.0 110.917 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -132.53 78.07 68.28 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -49.29 -24.05 7.84 Favored 'Trans proline' 0 C--N 1.346 0.413 1 C-N-CA 125.322 4.015 . . . . 0.0 118.56 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.31 79.61 3.98 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 119.595 1.089 . . . . 0.0 111.174 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.91 149.17 36.74 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.15 1.9 . . . . 0.0 110.505 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.5 t -82.42 127.12 32.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -77.38 -7.16 55.65 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -172.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -65.1 120.39 12.57 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.888 0.767 . . . . 0.0 110.314 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.11 69.97 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.199 1.4 . . . . 0.0 111.043 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 162.15 -61.5 0.28 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.3 -2.72 . . . . 0.0 106.3 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.9 t -79.62 56.34 2.2 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -80.98 62.33 4.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.855 0.862 . . . . 0.0 109.681 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -68.31 161.82 26.52 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.05 103.96 0.8 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -103.13 148.59 25.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.286 1.043 . . . . 0.0 109.13 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 p -90.91 -5.81 54.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.561 0.745 . . . . 0.0 112.425 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -150.58 144.2 25.14 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.749 0.704 . . . . 0.0 111.025 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.5 tp -56.59 -41.15 76.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -49.69 71.95 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.38 -42.99 98.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -58.04 -41.18 82.67 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -59.97 -55.3 35.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.344 0.658 . . . . 0.0 109.973 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -62.15 -39.53 92.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.027 -1.069 . . . . 0.0 110.933 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.78 -45.12 70.58 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.557 -0.715 . . . . 0.0 109.881 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 m -54.81 -23.54 18.73 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.9 -33.21 55.92 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.385 0.993 . . . . 0.0 110.434 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -65.44 -31.33 72.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.429 0.292 . . . . 0.0 111.264 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.72 -48.91 12.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.099 0.959 . . . . 0.0 109.59 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -69.89 -24.67 63.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.378 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.73 32.5 57.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.34 45.65 0.67 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.942 -0.74 . . . . 0.0 111.909 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -79.22 66.65 4.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.327 1.851 . . . . 0.0 108.637 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -110.88 3.83 19.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -75.91 85.22 2.84 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 119.853 1.206 . . . . 0.0 110.165 -175.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.4 m -75.37 119.65 19.76 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.776 2.03 . . . . 0.0 112.255 -173.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.5 t -58.39 120.41 8.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.417 1.087 . . . . 0.0 108.122 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -76.17 71.76 2.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -152.05 116.75 5.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.11 139.95 27.11 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.999 0.519 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.51 4.37 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.17 48.79 0.77 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.992 0.917 . . . . 0.0 109.802 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -83.25 53.51 2.5 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.946 -1.096 . . . . 0.0 109.362 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.79 126.24 29.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -98.33 120.16 38.26 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -108.99 173.82 6.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.807 1.243 . . . . 0.0 113.13 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.4 p -72.96 -48.06 39.97 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.186 2.194 . . . . 0.0 113.736 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.4 p -136.15 159.94 40.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.911 1.232 . . . . 0.0 109.413 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -57.17 -30.42 64.46 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.904 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.57 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.146 1.339 . . . . 0.0 111.086 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -60.15 -46.41 89.76 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.6 ttp -56.3 -51.48 68.04 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.689 0.796 . . . . 0.0 111.264 178.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -58.59 -54.1 50.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.63 0.772 . . . . 0.0 109.373 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -52.22 -52.64 51.1 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.409 0.55 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -55.52 -54.54 42.69 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.914 0.325 . . . . 0.0 110.177 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -53.9 -44.93 70.92 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.913 0.485 . . . . 0.0 110.654 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.25 -66.16 0.53 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -46.95 -38.05 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.084 2.154 . . . . 0.0 113.136 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -99.95 -70.47 0.73 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.914 0.886 . . . . 0.0 113.001 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.43 -38.0 50.47 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -35.65 61.68 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.316 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.7 mm -75.75 -54.6 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm . . . . . 0 CA--C 1.529 0.164 0 O-C-N 121.27 -0.894 . . . . 0.0 108.828 179.584 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.422 0 O4'-C1'-N19 110.871 3.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.299 1 O4'-C1'-N19 111.291 4.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 112.17 5.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 0 P-O3'-C3' 123.929 3.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 1 O4'-C1'-N19 112.166 5.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.654 0 O4'-C1'-N19 110.59 3.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.342 0 N19-C1'-C2' 108.874 -3.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 109.868 2.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.441 1 O4'-C1'-N19 111.979 5.223 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 0 P-O3'-C3' 123.697 3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.681 1 O4'-C1'-N19 111.793 4.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 P-O3'-C3' 122.762 2.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 O4'-C1'-C2' 102.331 -3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.369 0 O4'-C1'-N19 110.519 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 1 O4'-C1'-N19 111.192 4.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.683 1 O4'-C1'-N19 112.618 6.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.776 0 O4'-C1'-N19 110.219 3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.089 0 O4'-C4'-C3' 107.902 2.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.964 0 O4'-C1'-C2' 102.352 -3.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.594 1 O4'-C1'-N19 111.725 4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.718 0 P-O3'-C3' 122.811 2.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.617 4.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 1 O4'-C1'-N19 112.316 5.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C4'-C3' 108.364 2.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 P-O3'-C3' 122.714 2.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-N19 112.207 5.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.565 0 O4'-C1'-C2' 102.946 -2.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.01 1 O4'-C1'-N19 111.725 4.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C4'-C3' 108.16 2.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 0 O4'-C1'-N19 110.309 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 tpp . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -70.19 116.74 10.9 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 148.65 51.27 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.153 0.433 . . . . 0.0 110.834 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -77.54 133.74 38.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 171.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.45 143.14 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 118.402 0.546 . . . . 0.0 111.382 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.7 t -58.64 127.85 34.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.83 1.652 . . . . 0.0 110.562 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.23 -45.03 5.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.601 1.961 . . . . 0.0 112.737 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.81 64.32 1.77 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.069 0.948 . . . . 0.0 109.737 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.57 -64.55 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.833 2.853 . . . . 0.0 115.426 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -42.92 -37.97 2.04 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.082 1.753 . . . . 0.0 113.098 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -52.42 -36.63 54.74 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.641 1.576 . . . . 0.0 111.983 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.54 20.05 60.95 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.881 0.753 . . . . 0.0 114.007 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.24 146.26 26.61 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.18 141.45 20.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -145.97 145.33 30.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.056 0.942 . . . . 0.0 108.745 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -78.63 -36.21 44.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.6 130.51 34.46 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.782 -0.574 . . . . 0.0 109.886 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -54.13 -51.2 64.99 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.406 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -53.79 -40.88 66.67 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.339 0.655 . . . . 0.0 110.8 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.06 -44.5 79.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -39.49 94.73 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -62.39 -45.95 90.81 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.79 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -54.56 -54.53 40.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.434 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 mt -52.45 -32.85 41.55 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 117.971 -1.014 . . . . 0.0 112.402 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 p -49.7 -32.14 12.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.197 0.908 . . . . 0.0 111.544 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -55.05 -41.4 71.4 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.678 0.672 . . . . 0.0 111.319 176.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -90.8 -48.52 6.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.216 1.006 . . . . 0.0 111.835 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.1 p -93.02 -21.75 19.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.82 13.45 72.07 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -174.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.98 137.76 39.22 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.804 1.302 . . . . 0.0 109.914 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -132.89 80.64 60.21 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -46.77 -25.97 4.18 Favored 'Trans proline' 0 C--N 1.346 0.423 1 C-N-CA 125.692 4.262 . . . . 0.0 118.979 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.37 81.47 3.04 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 119.265 0.939 . . . . 0.0 111.538 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.25 146.66 28.59 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.184 1.923 . . . . 0.0 111.377 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.98 -28.11 43.49 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.216 0.606 . . . . 0.0 110.467 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 65.57 -31.96 0.15 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -45.04 139.68 3.08 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.496 1.118 . . . . 0.0 112.053 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -51.43 129.35 25.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.151 0.98 . . . . 0.0 109.299 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.38 -61.37 3.54 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.5 t -78.05 49.81 0.83 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.869 0.867 . . . . 0.0 111.215 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -82.54 62.8 6.38 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -69.82 162.07 28.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.563 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.92 102.92 0.64 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -97.56 147.45 24.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 118.214 1.007 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -89.69 -7.95 53.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.929 0.892 . . . . 0.0 112.665 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 p -147.76 153.67 39.53 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.414 1.006 . . . . 0.0 111.492 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.56 -40.99 84.63 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -57.1 -50.51 72.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -59.68 -41.5 90.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.165 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.6 -46.56 89.78 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.488 0.661 . . . . 0.0 110.472 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.0 m -60.18 -55.07 38.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.837 0.855 . . . . 0.0 110.636 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -60.93 -40.93 95.09 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -56.09 -43.18 77.8 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.688 -0.632 . . . . 0.0 109.747 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -56.99 -21.6 31.89 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.77 -30.73 70.99 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.276 -0.89 . . . . 0.0 109.678 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 p -69.19 -34.35 74.78 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.337 0.517 . . . . 0.0 111.034 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -76.45 -50.32 14.37 Favored 'General case' 0 C--N 1.339 0.13 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.4 p -70.12 -26.46 63.97 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.03 21.92 69.8 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.531 1.063 . . . . 0.0 111.23 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.07 56.97 2.11 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.843 0.821 . . . . 0.0 112.236 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -76.44 72.13 3.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.084 1.754 . . . . 0.0 108.232 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -105.55 -2.79 23.15 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -75.98 87.23 2.91 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 120.476 1.489 . . . . 0.0 109.348 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.76 119.35 21.15 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.753 2.021 . . . . 0.0 111.391 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.39 115.74 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -74.43 74.42 1.91 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 t -148.26 112.6 5.27 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.55 131.05 21.11 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.947 0.899 . . . . 0.0 110.98 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.38 -55.97 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.64 45.08 0.48 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.823 1.249 . . . . 0.0 109.973 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.16 51.48 2.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 120.868 -1.145 . . . . 0.0 109.733 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.36 136.58 53.6 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.33 125.76 49.14 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -108.43 161.29 15.17 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.614 1.166 . . . . 0.0 111.802 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.7 -44.41 77.76 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.238 1.415 . . . . 0.0 112.208 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -131.55 160.49 35.11 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.165 0.586 . . . . 0.0 110.462 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -59.72 -44.75 93.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.13 -35.0 79.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.46 -0.775 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.79 -44.98 91.74 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.464 1.029 . . . . 0.0 109.011 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.3 ttp -54.84 -48.48 72.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -60.73 -47.82 84.55 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.8 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.96 -51.13 62.51 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 119.942 1.246 . . . . 0.0 109.034 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -56.27 -54.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.65 -44.12 69.35 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.835 0.826 . . . . 0.0 110.35 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.28 -64.3 1.0 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.5 ttm105 -47.64 -46.82 29.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.79 1.636 . . . . 0.0 112.691 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -90.2 -35.06 15.57 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -114.57 -39.06 3.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.166 0.894 . . . . 0.0 113.209 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -44.69 25.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 119.109 0.868 . . . . 0.0 110.962 -178.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.3 pt -115.75 -9.75 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.544 0.738 . . . . 0.0 112.475 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.3 tptp . . . . . 0 CA--C 1.533 0.297 0 C-N-CA 123.639 0.776 . . . . 0.0 110.897 -179.275 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.188 0 P-O3'-C3' 122.837 2.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.86 0 P-O3'-C3' 122.901 2.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.708 1 O4'-C1'-N19 112.405 5.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.56 0 O4'-C4'-C3' 108.437 2.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.853 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.404 1 O4'-C1'-N19 111.613 4.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.336 4.42 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 P-O3'-C3' 122.938 2.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.662 1 O4'-C1'-N19 111.883 5.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 P-O3'-C3' 123.037 2.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-C2' 102.778 -3.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.369 0 O4'-C1'-N19 110.342 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C1'-C2' 103.52 -2.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.946 0 O4'-C1'-N19 110.702 3.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 P-O3'-C3' 123.295 2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.87 0 O4'-C1'-C2' 102.739 -3.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.833 1 O4'-C1'-N19 112.935 6.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 0 O4'-C4'-C3' 107.862 2.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 112.785 6.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.813 1 O4'-C1'-N19 111.874 5.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.393 0 O4'-C1'-N19 109.714 2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 0 P-O3'-C3' 123.018 2.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.997 1 O4'-C1'-N19 112.141 5.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 0 O4'-C1'-C2' 103.032 -2.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.961 1 O4'-C1'-N19 111.715 4.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.625 0 O4'-C4'-C3' 108.183 2.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 O4'-C1'-N19 110.418 3.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -68.22 142.3 55.69 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.402 1.081 . . . . 0.0 109.644 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.85 137.07 44.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -79.46 136.21 36.87 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 103.676 -2.712 . . . . 0.0 103.676 169.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mt -110.54 142.01 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.635 0.774 . . . . 0.0 110.405 -176.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -65.96 115.82 6.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.598 1.159 . . . . 0.0 109.122 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.05 -33.04 10.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.368 1.867 . . . . 0.0 114.399 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -74.65 57.26 0.74 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.328 1.051 . . . . 0.0 112.486 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 8.85 -77.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.874 3.269 . . . . 0.0 116.39 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.6 -40.69 20.0 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 125.111 1.365 . . . . 0.0 111.893 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -83.74 69.29 10.16 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 52.24 0.52 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 127.262 2.363 . . . . 0.0 113.248 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.43 146.7 26.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.44 142.68 20.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -151.65 146.68 25.98 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.194 0.452 . . . . 0.0 110.35 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -39.41 75.17 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.883 0.473 . . . . 0.0 110.479 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -78.39 111.46 14.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.352 0.596 . . . . 0.0 111.588 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -40.74 -57.61 1.86 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.091 1.757 . . . . 0.0 110.429 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -53.7 -40.28 65.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.243 1.017 . . . . 0.0 112.467 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -66.03 -46.89 76.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.36 -37.59 87.86 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -60.59 -49.3 78.07 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.799 1.182 . . . . 0.0 109.251 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -43.56 74.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 109.905 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -60.83 -58.28 9.1 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.6 -37.44 49.96 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.753 -0.592 . . . . 0.0 111.972 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -55.27 -30.21 59.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.145 0.43 . . . . 0.0 111.786 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -57.01 -37.35 71.57 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.028 0.376 . . . . 0.0 110.382 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.0 -52.62 4.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.857 0.863 . . . . 0.0 111.521 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -79.55 -29.7 41.46 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.141 1.377 . . . . 0.0 114.526 -172.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.46 6.73 84.6 Favored Glycine 0 CA--C 1.536 1.389 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.29 127.35 31.96 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.154 1.477 . . . . 0.0 109.484 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -126.9 83.68 65.11 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 124.209 1.004 . . . . 0.0 109.432 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -51.54 -22.31 12.36 Favored 'Trans proline' 0 C--N 1.348 0.539 1 C-N-CA 125.807 4.338 . . . . 0.0 118.716 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.12 79.45 1.57 Allowed Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 119.569 1.077 . . . . 0.0 110.302 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -73.75 144.31 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.199 1.933 . . . . 0.0 110.452 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.9 t -86.47 89.64 7.96 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.97 46.01 0.22 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.39 139.21 31.4 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.142 1.777 . . . . 0.0 107.098 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.59 129.41 40.8 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.85 -55.28 3.46 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.1 53.08 0.94 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.811 1.245 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.67 65.24 4.78 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.558 0.743 . . . . 0.0 110.692 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.19 164.15 26.71 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 106.25 0.86 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 108.028 -2.029 . . . . 0.0 108.028 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.03 157.04 18.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.089 0.944 . . . . 0.0 109.665 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -102.78 -1.51 29.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.436 1.094 . . . . 0.0 112.844 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 p -154.25 150.27 27.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 118.847 0.748 . . . . 0.0 110.105 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.9 tp -59.92 -37.07 78.41 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.594 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -47.74 85.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.978 -0.451 . . . . 0.0 110.035 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -57.76 -48.7 78.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 tp -55.44 -40.41 71.53 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.1 m -59.87 -53.41 58.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.074 0.55 . . . . 0.0 109.638 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -62.27 -40.29 95.74 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -55.34 -45.22 76.45 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.551 -0.718 . . . . 0.0 109.891 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.6 m -57.79 -17.52 16.34 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.15 -32.92 71.49 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.048 -1.032 . . . . 0.0 109.345 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.9 p -65.2 -34.13 77.65 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.073 0.397 . . . . 0.0 110.832 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.09 -51.21 9.87 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.738 0.815 . . . . 0.0 109.762 -177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.4 p -69.74 -27.41 64.93 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.247 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.08 20.29 70.44 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.398 0.999 . . . . 0.0 111.41 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.37 52.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.149 0.975 . . . . 0.0 112.151 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -78.26 65.82 3.7 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.217 2.207 . . . . 0.0 107.836 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -102.61 1.28 34.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 -172.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -75.83 83.33 2.77 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 120.181 1.355 . . . . 0.0 109.489 -176.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -79.3 120.75 24.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.147 2.179 . . . . 0.0 110.725 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.71 108.16 1.11 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 172.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -73.76 72.02 1.49 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.957 0.408 . . . . 0.0 110.025 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.0 t -140.55 115.64 9.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.88 130.37 18.01 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 -177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.35 -56.08 4.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.77 44.71 0.47 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.782 1.233 . . . . 0.0 110.074 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.7 53.39 2.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.037 -1.039 . . . . 0.0 109.832 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.82 130.54 42.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.82 122.93 41.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.979 1.311 . . . . 0.0 108.782 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.73 160.26 17.47 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.939 0.895 . . . . 0.0 111.381 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.3 p -70.93 -33.96 71.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.12 1.368 . . . . 0.0 112.741 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 p -137.5 157.23 47.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.902 0.774 . . . . 0.0 110.517 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -57.03 -42.95 81.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.79 95.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.052 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.59 -46.05 91.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.369 0.986 . . . . 0.0 109.126 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.0 ttp -54.01 -49.33 69.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.116 0.566 . . . . 0.0 109.861 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.91 -47.62 85.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.984 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.42 -48.71 71.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.724 1.147 . . . . 0.0 109.262 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -56.78 -54.45 46.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -52.1 -43.16 63.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.152 0.977 . . . . 0.0 110.437 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.96 -62.99 1.4 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -50.15 -41.74 49.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.027 1.331 . . . . 0.0 113.645 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -100.17 -19.7 16.31 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -129.24 -48.93 1.19 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 119.864 1.211 . . . . 0.0 110.637 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.77 51.6 1.33 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.28 0.946 . . . . 0.0 111.748 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 pp -129.73 20.95 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.779 2.032 . . . . 0.0 110.142 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 O-C-N 121.29 -0.881 . . . . 0.0 109.298 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.519 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.369 1 O4'-C1'-N19 111.083 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.517 1 O4'-C1'-N19 111.973 5.216 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 P-O3'-C3' 123.424 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.578 1 O4'-C1'-N19 112.345 5.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.42 0 O4'-C4'-C3' 108.489 2.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 O4'-C1'-N19 110.286 3.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 112.224 5.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 1 O4'-C1'-N19 111.743 4.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 P-O3'-C3' 123.798 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 1 O4'-C1'-N19 113.064 6.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 P-O3'-C3' 123.121 2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 O4'-C1'-N19 110.702 3.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.394 0 O4'-C1'-N19 110.148 2.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 O4'-C1'-C2' 103.257 -2.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.073 0 O4'-C1'-N19 110.634 3.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.602 1 O4'-C1'-N19 111.896 5.12 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 0 P-O3'-C3' 123.14 2.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 0 O4'-C1'-C2' 102.125 -3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 1 O4'-C1'-N19 112.692 6.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.434 3.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 1 O4'-C1'-N19 112.359 5.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.809 1 O4'-C1'-N19 112.58 5.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C4'-C3' 108.246 2.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.506 0 O4'-C4'-C3' 108.038 2.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.869 1 O4'-C1'-N19 112.419 5.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.653 0 P-O3'-C3' 122.942 2.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.04 1 O4'-C1'-N19 111.242 4.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C4'-C3' 108.076 2.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.619 0 P-O3'-C3' 123.058 2.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -74.21 145.74 43.9 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -128.0 145.07 51.09 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -77.14 133.42 38.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -108.36 142.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.779 0.831 . . . . 0.0 109.816 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.2 t -61.49 119.03 7.78 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.655 1.182 . . . . 0.0 109.648 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -41.16 -42.35 2.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.928 2.091 . . . . 0.0 112.955 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -75.81 63.49 1.67 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.785 1.234 . . . . 0.0 109.104 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.03 -63.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 129.095 2.958 . . . . 0.0 115.405 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.38 -37.5 2.33 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.877 1.671 . . . . 0.0 113.095 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 t -54.65 -34.9 62.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.257 1.423 . . . . 0.0 112.065 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.04 15.36 60.42 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.13 0.871 . . . . 0.0 115.048 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.24 136.7 35.84 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.898 1.349 . . . . 0.0 108.294 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.05 142.36 20.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -153.78 147.71 25.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.327 0.651 . . . . 0.0 109.486 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -74.59 -29.5 61.34 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.638 -0.664 . . . . 0.0 110.661 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -78.54 111.84 15.0 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.889 0.475 . . . . 0.0 111.036 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -50.26 -51.74 42.13 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 124.205 1.002 . . . . 0.0 110.539 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 25.6 p-90 -52.77 -42.33 64.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.14 0.576 . . . . 0.0 110.303 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -70.25 -46.99 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.435 0.694 . . . . 0.0 110.73 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.22 -45.45 94.52 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -57.52 -46.66 83.56 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 -34.38 64.75 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 122.65 0.38 . . . . 0.0 110.489 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.52 -55.04 8.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.379 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -44.0 -39.78 4.32 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.929 0.892 . . . . 0.0 112.504 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 p -43.2 -39.52 2.96 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.12 0.568 . . . . 0.0 112.309 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -53.42 -44.7 68.97 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.922 0.889 . . . . 0.0 112.009 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -91.12 -47.78 7.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.675 0.79 . . . . 0.0 111.58 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -81.8 -28.3 33.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.05 11.34 85.26 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -172.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -76.69 130.54 37.91 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.874 1.337 . . . . 0.0 109.89 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -132.8 80.37 61.37 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.92 -27.12 26.82 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 124.834 3.689 . . . . 0.0 117.803 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -115.19 72.48 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.341 0.973 . . . . 0.0 112.594 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.45 162.04 36.54 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.518 2.145 . . . . 0.0 109.801 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -80.49 -13.61 58.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.611 1.564 . . . . 0.0 112.842 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.66 -47.38 0.67 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.697 1.599 . . . . 0.0 114.313 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -43.04 140.72 1.34 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.279 1.432 . . . . 0.0 112.958 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mp0 -55.09 130.01 40.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.95 -64.14 3.1 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.78 58.93 2.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.31 0.644 . . . . 0.0 109.853 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.67 -30.97 41.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.368 0.667 . . . . 0.0 109.694 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 44.77 -146.15 0.12 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.777 2.031 . . . . 0.0 111.379 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.77 81.65 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -93.01 153.98 18.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 p -93.45 -8.05 42.72 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 p -147.8 161.43 41.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.203 0.91 . . . . 0.0 108.864 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.1 -41.4 97.29 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -69.34 -38.25 78.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.236 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -56.57 -47.37 79.65 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 173.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.13 -38.73 90.07 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.3 m -60.88 -48.68 80.68 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.242 -0.912 . . . . 0.0 110.031 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -60.59 -41.37 94.57 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.801 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -55.43 -45.06 76.79 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.787 0.721 . . . . 0.0 109.973 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 m -55.79 -20.14 13.93 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.9 mt -59.96 -31.78 70.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.354 -0.841 . . . . 0.0 109.704 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.5 p -65.59 -36.35 83.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.257 0.48 . . . . 0.0 111.165 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -78.3 -51.22 10.45 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.813 0.445 . . . . 0.0 110.028 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.0 p -67.61 -27.87 67.26 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.75 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 23.08 71.59 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.089 0.852 . . . . 0.0 111.567 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -79.5 54.26 1.71 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.088 0.944 . . . . 0.0 111.9 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.52 68.06 3.55 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.82 2.448 . . . . 0.0 107.956 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.54 -2.99 21.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.29 85.52 2.47 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 119.975 1.261 . . . . 0.0 109.723 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -78.58 120.19 22.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.664 1.985 . . . . 0.0 110.684 -175.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.03 119.78 8.98 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -76.23 68.11 2.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.638 0.775 . . . . 0.0 109.905 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -143.17 116.08 8.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 132.3 29.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.66 0.784 . . . . 0.0 110.719 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.3 -56.74 4.88 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.75 45.68 0.52 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.699 1.199 . . . . 0.0 109.965 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.75 52.01 2.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 120.887 -1.133 . . . . 0.0 109.366 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.17 135.23 48.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -98.1 121.75 40.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.066 1.346 . . . . 0.0 108.745 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -108.51 159.64 16.53 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.874 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.43 -52.75 23.83 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.312 1.445 . . . . 0.0 111.817 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.1 p -120.42 157.35 29.5 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.346 0.521 . . . . 0.0 110.212 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -58.9 -40.49 84.65 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 174.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.49 90.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.57 -0.706 . . . . 0.0 111.346 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.03 -44.33 96.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 108.788 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.4 ttp -55.18 -47.97 74.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.53 -48.46 81.66 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.768 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -52.69 -50.97 62.25 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.955 1.252 . . . . 0.0 109.071 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -56.26 -54.05 49.95 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -54.87 -42.29 71.87 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.86 0.838 . . . . 0.0 110.302 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -60.66 -59.9 4.65 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -54.92 -42.95 72.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.563 1.545 . . . . 0.0 113.164 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -94.42 -27.55 15.97 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -125.66 -45.0 1.79 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 119.39 0.995 . . . . 0.0 113.133 -172.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -44.45 54.64 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.168 0.894 . . . . 0.0 111.899 -174.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.2 pt -77.18 -34.14 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 119.279 0.945 . . . . 0.0 109.249 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.524 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.502 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.191 1 O4'-C1'-N19 111.564 4.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 1 O4'-C1'-N19 111.998 5.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 0 P-O3'-C3' 123.844 3.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.623 1 O4'-C1'-N19 111.687 4.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.642 0 O4'-C1'-N19 110.776 3.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 N19-C1'-C2' 109.093 -3.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 109.964 2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 2 O4'-C1'-N19 114.501 8.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 P-O3'-C3' 123.546 3.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 1 O4'-C1'-N19 112.138 5.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 123.144 2.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.759 0 O4'-C1'-C2' 102.669 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.498 0 O4'-C1'-N19 110.416 3.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.817 0 O4'-C1'-N19 110.634 3.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.847 0 O4'-C1'-N19 109.918 2.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 1 O4'-C1'-N19 111.866 5.083 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C4'-C3' 108.209 2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-C2' 102.134 -3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 0 O4'-C1'-N19 110.086 2.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 113.942 7.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 1 O4'-C1'-N19 113.085 6.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C4'-C3' 108.291 2.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 P-O3'-C3' 122.696 2.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 1 O4'-C1'-N19 111.796 4.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.787 0 O4'-C1'-N19 110.536 3.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.027 1 O4'-C1'-N19 111.204 4.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.624 0 O4'-C4'-C3' 108.398 2.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.203 0 C4'-C3'-C2' 100.803 -2.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -167.05 168.54 13.64 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.595 1.958 . . . . 0.0 105.856 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 81.78 136.19 0.06 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 127.249 2.22 . . . . 0.0 111.095 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -87.15 136.72 32.82 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 170.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.45 147.56 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.191 0.997 . . . . 0.0 108.871 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -72.97 112.82 9.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.706 1.603 . . . . 0.0 108.566 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -41.88 -35.15 0.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.097 2.159 . . . . 0.0 113.563 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.01 81.58 0.31 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.949 0.9 . . . . 0.0 109.608 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 65.35 0.08 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.482 2.313 . . . . 0.0 110.499 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -164.28 -50.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 130.016 3.327 . . . . 0.0 104.394 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.1 t -70.61 -51.65 26.74 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.12 40.43 66.7 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.882 0.754 . . . . 0.0 114.527 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.23 167.39 20.36 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.95 148.88 15.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.393 -0.817 . . . . 0.0 108.929 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -148.7 154.05 39.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.507 0.594 . . . . 0.0 110.052 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -45.17 62.78 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -89.9 137.66 32.15 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -176.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.12 -50.12 70.03 Favored 'General case' 0 C--O 1.227 -0.111 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.546 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -52.82 -42.27 64.98 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.729 0.812 . . . . 0.0 111.304 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.03 -48.9 72.22 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.6 -36.26 83.23 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.154 -0.341 . . . . 0.0 110.098 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.25 -47.4 82.56 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 120.811 -1.18 . . . . 0.0 109.537 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.02 -46.0 75.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -57.46 -54.19 49.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.789 174.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -52.11 -32.29 34.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 118.491 -0.766 . . . . 0.0 112.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.6 p -54.06 -30.86 49.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.727 1.149 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -51.57 -45.19 62.99 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.86 -47.34 7.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 112.165 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 p -85.41 -27.78 25.54 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -172.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.44 12.39 80.11 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -173.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.04 144.27 38.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.896 1.348 . . . . 0.0 110.2 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -132.48 79.13 65.93 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 124.323 1.049 . . . . 0.0 108.189 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.82 -27.13 10.76 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 125.224 3.949 . . . . 0.0 118.484 -175.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.87 81.59 2.66 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 119.243 0.929 . . . . 0.0 111.507 -174.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.15 156.12 37.86 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 121.716 1.611 . . . . 0.0 110.518 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.2 t -89.28 -37.23 15.09 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 53.05 30.81 10.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.064 0.945 . . . . 0.0 113.357 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.82 163.67 15.57 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.471 0.653 . . . . 0.0 109.491 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -56.56 108.09 0.45 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.619 1.167 . . . . 0.0 108.769 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.71 -48.77 2.99 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.1 t -75.76 59.42 1.2 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.573 1.549 . . . . 0.0 110.298 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 59.76 5.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -66.82 162.03 22.49 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 122.046 -0.409 . . . . 0.0 110.477 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.75 105.72 0.79 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.05 149.69 24.32 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.364 1.082 . . . . 0.0 110.248 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -93.37 -1.9 55.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.065 0.946 . . . . 0.0 113.247 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 p -150.92 153.67 35.7 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.624 1.102 . . . . 0.0 111.442 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.31 -38.56 89.86 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -47.38 85.74 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -55.66 -48.45 75.0 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.68 -44.97 90.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 110.76 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 m -58.82 -56.61 20.01 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 110.316 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -60.97 -40.82 94.85 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.999 -0.438 . . . . 0.0 110.09 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -56.17 -44.3 79.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.592 -0.693 . . . . 0.0 109.856 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.3 m -56.42 -20.42 19.64 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -32.9 70.77 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.483 -0.76 . . . . 0.0 109.597 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 p -68.37 -34.13 75.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.014 0.37 . . . . 0.0 111.436 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.12 -48.81 19.27 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.3 p -69.35 -24.71 63.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.553 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.54 61.03 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.04 61.96 4.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 122.076 0.941 . . . . 0.0 111.862 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -78.63 68.41 4.6 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -99.21 -14.78 19.16 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -74.47 88.6 2.12 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.446 1.021 . . . . 0.0 110.27 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.81 125.5 29.44 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.605 1.962 . . . . 0.0 111.429 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.62 118.67 8.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -75.24 72.92 2.34 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 t -148.55 113.15 5.35 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.51 132.89 30.33 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.507 0.723 . . . . 0.0 110.679 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.27 -56.47 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.94 47.5 0.65 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.529 1.132 . . . . 0.0 109.826 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.92 51.12 1.97 Allowed 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 120.869 -1.145 . . . . 0.0 109.579 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.21 134.75 50.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.59 136.95 40.57 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -119.13 161.97 19.41 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -46.33 80.46 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.576 1.55 . . . . 0.0 112.041 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.6 p -129.68 160.34 33.65 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.164 0.506 . . . . 0.0 110.625 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.08 -50.7 70.29 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.995 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.78 78.92 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.47 -178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.53 -44.23 96.87 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.921 1.237 . . . . 0.0 109.002 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -57.16 -44.51 83.56 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.11 -49.99 75.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.105 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -51.61 -52.61 46.16 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 119.327 0.967 . . . . 0.0 109.05 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -56.13 -54.02 50.13 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.339 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.37 -44.44 65.28 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.457 0.646 . . . . 0.0 110.692 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -63.31 -57.16 11.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.13 0.972 . . . . 0.0 109.857 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.14 -35.28 66.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.952 2.101 . . . . 0.0 113.123 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -107.53 -21.11 13.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -130.39 -60.98 0.98 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 119.969 1.258 . . . . 0.0 110.526 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.24 53.17 1.71 Allowed 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.677 -0.639 . . . . 0.0 110.816 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 pt -79.58 41.08 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.591 1.956 . . . . 0.0 111.516 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm . . . . . 0 CA--C 1.532 0.26 0 C-N-CA 126.464 1.906 . . . . 0.0 112.215 177.273 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 O4'-C1'-N19 110.268 3.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.041 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.793 0 P-O3'-C3' 123.3 3.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.596 1 O4'-C1'-N19 111.926 5.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 0 O4'-C1'-N19 109.623 2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C1'-N19 110.221 3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 2 O4'-C1'-N19 111.892 5.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 112.002 5.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.915 0 P-O3'-C3' 123.563 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.535 1 O4'-C1'-N19 112.068 5.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 P-O3'-C3' 123.071 2.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.834 1 O4'-C1'-N19 111.164 4.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.362 0 O4'-C1'-N19 110.072 2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.738 1 O4'-C1'-N19 111.064 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.435 4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.696 1 O4'-C1'-N19 111.429 4.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 109.965 2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.693 0 O4'-C4'-C3' 108.22 2.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 1 O4'-C1'-N19 111.754 4.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . 0.444 ' H72' ' HD2' ' A' ' 58' ' ' HIS . . . . . . . . 0 O4'--C4' 1.417 -2.602 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . 0.42 ' N4 ' ' CE1' ' A' ' 58' ' ' HIS . . . . . . . . 0 C5'--C4' 1.534 2.893 1 O4'-C1'-N19 111.372 4.465 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 1 O4'-C1'-N19 112.797 6.246 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 0 O4'-C4'-C3' 108.324 2.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 P-O3'-C3' 122.64 2.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.777 1 O4'-C1'-N19 111.617 4.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.79 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.603 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 0 P-O3'-C3' 122.67 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 O4'-C1'-N19 110.21 3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -100.39 141.2 33.57 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.33 162.67 21.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 126.667 1.987 . . . . 0.0 105.771 177.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -79.23 126.06 30.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 172.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -100.1 142.54 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.342 0.657 . . . . 0.0 110.353 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.3 t -61.21 121.38 12.41 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 110.161 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -44.05 -40.97 5.18 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.663 1.985 . . . . 0.0 113.051 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.46 63.85 1.52 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 109.473 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.5 -65.17 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.075 2.95 . . . . 0.0 115.519 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.79 -36.99 2.51 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.894 1.677 . . . . 0.0 113.146 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.39 -34.88 62.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.418 1.487 . . . . 0.0 111.896 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.0 25.68 62.24 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.238 0.923 . . . . 0.0 114.304 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.61 143.11 27.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.35 145.49 24.61 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -148.32 151.24 35.02 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.33 0.652 . . . . 0.0 109.563 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -82.06 -38.05 25.51 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 109.926 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -77.42 120.09 21.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.7 -48.77 74.56 Favored 'General case' 0 N--CA 1.458 -0.046 0 O-C-N 122.089 -0.382 . . . . 0.0 110.287 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.61 -40.45 65.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.694 0.798 . . . . 0.0 111.317 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -66.46 -46.22 77.13 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 tp -60.46 -39.85 89.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.801 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -60.12 -47.51 85.62 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.605 1.093 . . . . 0.0 109.586 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.74 -37.71 71.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.241 0.616 . . . . 0.0 110.514 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.62 -59.05 3.66 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.798 -0.564 . . . . 0.0 109.487 175.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -49.39 -35.04 17.8 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 125.135 1.374 . . . . 0.0 112.016 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 p -51.56 -32.92 30.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.487 0.585 . . . . 0.0 111.474 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.49 -38.51 81.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.826 0.451 . . . . 0.0 111.494 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.53 -47.93 7.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.485 0.714 . . . . 0.0 111.234 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -85.22 -30.47 23.84 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -172.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.77 7.23 88.34 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -78.42 137.47 38.0 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.957 1.379 . . . . 0.0 110.766 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -132.03 79.94 65.88 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.669 1.188 . . . . 0.0 108.112 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.33 -20.77 12.04 Favored 'Trans proline' 0 C--N 1.347 0.486 1 C-N-CA 125.356 4.037 . . . . 0.0 118.278 -174.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.37 79.11 2.08 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 119.471 1.032 . . . . 0.0 110.356 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.23 148.76 31.05 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.404 2.069 . . . . 0.0 110.789 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.8 t -90.49 88.73 7.27 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -73.25 47.24 0.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -94.36 152.16 18.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.277 1.031 . . . . 0.0 108.833 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -62.9 130.53 45.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -57.61 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.8 t -77.3 52.12 0.9 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.445 1.098 . . . . 0.0 110.589 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.23 64.84 5.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.987 0.915 . . . . 0.0 109.958 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -74.05 166.42 23.42 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.039 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.99 109.51 0.99 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 108.248 -1.941 . . . . 0.0 108.248 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -112.75 158.64 19.84 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.878 0.839 . . . . 0.0 109.514 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 p -99.46 -9.99 22.72 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.6 p -148.19 157.59 43.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.211 0.914 . . . . 0.0 109.81 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.09 -41.13 82.82 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.444 ' HD2' ' H72' ' F' ' 21' ' ' ' DT' . 9.2 t-80 -60.02 -55.02 39.16 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.158 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -53.25 -43.31 67.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.625 0.648 . . . . 0.0 109.385 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.89 -44.95 94.71 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.933 -0.479 . . . . 0.0 111.246 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.8 m -62.11 -49.63 75.14 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.359 -0.838 . . . . 0.0 110.66 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -40.43 97.4 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -55.59 -44.55 77.05 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.419 -0.801 . . . . 0.0 109.44 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 m -57.7 -15.56 8.22 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.11 -34.3 70.06 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.76 1.164 . . . . 0.0 109.081 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -63.16 -31.77 73.0 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.284 0.234 . . . . 0.0 111.343 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -83.81 -52.77 6.11 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.962 0.905 . . . . 0.0 109.996 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.4 p -65.7 -30.12 70.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.178 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 24.97 66.21 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.723 0.678 . . . . 0.0 111.668 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.38 55.1 1.84 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.086 0.945 . . . . 0.0 110.775 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -78.78 67.6 4.55 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.206 2.203 . . . . 0.0 105.744 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -107.51 -6.51 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -75.33 87.06 2.52 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.033 0.833 . . . . 0.0 108.983 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.9 m -82.12 123.87 29.35 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 126.464 1.906 . . . . 0.0 110.504 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.0 t -61.96 115.34 3.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -74.57 72.08 1.9 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 109.976 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -148.19 116.95 6.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.76 135.06 30.06 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.456 0.703 . . . . 0.0 110.483 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.54 -59.16 4.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.34 48.02 0.73 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.67 0.788 . . . . 0.0 109.996 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.08 53.27 2.4 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 120.928 -1.108 . . . . 0.0 108.812 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.5 mt -71.38 129.66 39.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -94.59 131.2 40.6 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.42 1.088 . . . . 0.0 109.16 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -118.68 157.27 27.77 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 111.184 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -69.8 -55.25 10.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.589 1.155 . . . . 0.0 111.381 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.3 p -115.13 152.97 31.62 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.235 0.614 . . . . 0.0 109.907 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -57.34 -40.56 78.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.01 89.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.624 -0.672 . . . . 0.0 111.249 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.404 1.002 . . . . 0.0 108.984 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.7 ttp -55.08 -46.4 75.45 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -61.54 -47.86 83.62 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.787 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -53.34 -49.35 67.29 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 119.764 1.165 . . . . 0.0 109.393 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -56.33 -54.57 43.85 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -52.55 -46.06 66.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.183 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -57.96 -67.44 0.34 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.347 1.059 . . . . 0.0 108.88 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -49.57 -37.26 26.68 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.931 1.692 . . . . 0.0 113.574 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -98.44 -68.56 0.8 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.774 0.829 . . . . 0.0 112.484 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -78.0 -37.5 46.99 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -31.83 63.95 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.062 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.6 mm -74.76 -52.31 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.48 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.162 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.555 4.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 0 P-O3'-C3' 123.048 2.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 1 O4'-C1'-N19 112.349 5.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.654 0 O4'-C1'-N19 109.973 2.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 0 P-O3'-C3' 122.464 2.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.005 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.684 1 O4'-C1'-N19 112.267 5.584 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 0 P-O3'-C3' 122.971 2.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.632 1 O4'-C1'-N19 112.545 5.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 P-O3'-C3' 123.087 2.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.809 0 O4'-C1'-C2' 102.756 -3.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.523 0 O4'-C1'-N19 110.169 2.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 P-O3'-C3' 122.37 2.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.183 0 O4'-C1'-N19 110.097 2.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.688 0 O4'-C1'-N19 110.167 2.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 0 P-O3'-C3' 123.177 2.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O4'-C1'-C2' 101.885 -3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 1 O4'-C1'-N19 113.122 6.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.111 2.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 1 O4'-C1'-N19 112.514 5.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.867 1 O4'-C1'-N19 112.038 5.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C4'-C3' 108.188 2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.595 0 P-O3'-C3' 122.801 2.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.883 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 O4'-C1'-N19 110.321 3.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.975 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C4'-C3' 108.0 2.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 O4'-C1'-N19 110.238 3.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.8 mtp . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 119.485 -0.293 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -51.68 123.73 10.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.636 1.175 . . . . 0.0 112.127 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.27 124.46 29.35 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.494 0.318 . . . . 0.0 110.483 176.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -79.33 142.37 36.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 168.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.41 142.89 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.574 0.749 . . . . 0.0 109.687 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.41 120.33 10.27 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.617 1.167 . . . . 0.0 110.138 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.5 -42.67 3.39 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.811 2.045 . . . . 0.0 112.766 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -75.5 63.87 1.55 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.624 1.169 . . . . 0.0 109.31 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.42 -64.09 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 129.082 2.953 . . . . 0.0 115.452 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.05 -36.75 2.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.766 1.626 . . . . 0.0 113.201 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.5 t -55.02 -34.1 63.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.304 1.442 . . . . 0.0 111.866 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 22.32 62.44 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.496 1.046 . . . . 0.0 114.909 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.85 141.92 28.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.54 1.17 . . . . 0.0 108.907 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.45 144.98 21.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.732 -0.652 . . . . 0.0 109.382 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -154.42 148.5 25.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.504 0.593 . . . . 0.0 110.08 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.81 -53.01 20.22 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -72.95 113.16 9.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.516 0.674 . . . . 0.0 110.675 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -35.66 -56.01 0.68 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 127.372 2.269 . . . . 0.0 111.686 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -54.29 -37.64 65.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.428 1.091 . . . . 0.0 112.983 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -68.2 -46.12 71.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -38.63 91.84 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -59.72 -48.36 81.99 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.82 -1.175 . . . . 0.0 109.891 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.41 75.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -59.73 -54.76 42.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.949 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 mp -48.99 -41.66 35.15 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.51 -0.744 . . . . 0.0 112.347 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.8 p -50.82 -32.61 20.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.712 0.687 . . . . 0.0 111.875 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -55.39 -40.87 71.91 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.001 0.521 . . . . 0.0 110.949 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.97 -51.37 5.23 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.988 0.915 . . . . 0.0 111.618 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 p -77.68 -30.17 51.8 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.294 1.438 . . . . 0.0 114.138 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.87 9.84 79.88 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -78.04 144.65 36.43 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.898 1.349 . . . . 0.0 110.45 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -132.53 77.33 70.03 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 0.0 109.399 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.4 -25.1 9.74 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 125.131 3.887 . . . . 0.0 118.5 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.51 79.17 2.21 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 119.748 1.158 . . . . 0.0 112.391 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.93 148.34 45.36 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 121.962 1.775 . . . . 0.0 109.818 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.01 -6.64 48.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.976 0.91 . . . . 0.0 113.413 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 72.04 -46.72 0.65 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.354 1.862 . . . . 0.0 113.884 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -48.93 118.84 2.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.286 1.034 . . . . 0.0 111.734 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -73.06 65.54 0.78 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.708 1.603 . . . . 0.0 110.097 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.18 -68.73 0.1 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.3 t -79.76 55.34 2.02 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.58 62.14 4.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.473 -0.767 . . . . 0.0 110.484 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -71.57 154.71 41.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.39 102.22 0.86 Allowed Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.537 -2.225 . . . . 0.0 107.537 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.99 147.17 24.77 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.083 0.941 . . . . 0.0 109.854 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -90.26 -9.6 47.37 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.5 p -147.05 154.18 40.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.941 0.791 . . . . 0.0 111.064 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.02 -33.23 74.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.595 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -63.81 -46.32 85.67 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.491 -0.755 . . . . 0.0 110.297 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.13 -47.9 77.26 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 tp -54.75 -45.67 74.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.363 0.665 . . . . 0.0 110.075 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.2 m -58.54 -53.71 55.28 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.991 0.516 . . . . 0.0 110.223 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -63.92 -39.31 93.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.428 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -56.16 -43.5 78.38 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.281 -0.887 . . . . 0.0 109.638 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 m -55.3 -19.8 9.56 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.3 -34.43 68.69 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.205 0.911 . . . . 0.0 109.586 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 p -68.3 -34.96 77.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.948 0.499 . . . . 0.0 111.533 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -76.82 -46.88 23.17 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.9 p -67.79 -27.34 66.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.36 0.264 . . . . 0.0 110.837 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.62 30.66 47.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -79.93 50.28 1.18 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.91 0.862 . . . . 0.0 111.604 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -81.29 66.86 7.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -124.48 6.23 8.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -76.78 86.44 3.38 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -77.37 122.44 25.15 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.551 1.94 . . . . 0.0 111.044 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.8 t -61.91 117.71 6.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.48 73.76 1.92 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 t -148.94 113.61 5.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.15 131.64 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.836 0.854 . . . . 0.0 110.902 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.52 -55.88 4.87 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.61 44.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.974 1.309 . . . . 0.0 109.991 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -83.61 53.39 2.51 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.965 -1.084 . . . . 0.0 109.605 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.26 132.45 45.73 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -98.75 116.61 31.37 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.432 1.093 . . . . 0.0 109.879 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -100.83 161.96 13.23 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.58 0.752 . . . . 0.0 111.074 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -70.21 -55.73 8.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.043 1.337 . . . . 0.0 110.84 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.5 p -109.84 152.97 25.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 110.471 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -55.28 -45.68 76.16 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.98 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.397 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.28 -44.0 95.72 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.898 1.226 . . . . 0.0 108.778 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -58.01 -46.12 85.78 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.53 -51.09 71.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.593 0.633 . . . . 0.0 110.087 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -52.92 -53.8 44.16 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.645 0.778 . . . . 0.0 109.441 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -55.28 -53.7 52.73 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.105 0.411 . . . . 0.0 110.265 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -53.25 -46.61 69.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.689 0.757 . . . . 0.0 109.662 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -59.85 -62.97 1.48 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.164 0.586 . . . . 0.0 109.757 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -45.9 -46.75 16.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.293 2.237 . . . . 0.0 112.309 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -94.25 -25.04 17.21 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -122.75 -30.05 3.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.059 1.3 . . . . 0.0 113.598 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -85.32 -66.74 0.86 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.4 pt -90.58 6.12 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 123.302 0.641 . . . . 0.0 112.427 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm . . . . . 0 CA--C 1.532 0.261 0 C-N-CA 123.77 0.828 . . . . 0.0 111.548 178.532 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-N19 110.531 3.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.224 0 O4'-C1'-N19 110.294 3.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.099 4.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 P-O3'-C3' 122.944 2.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.528 1 O4'-C1'-N19 112.235 5.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 0 O4'-C1'-N19 110.904 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.655 0 N19-C1'-C2' 109.25 -3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 112.184 5.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.496 4.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 0 O4'-C1'-C2' 102.774 -3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.445 1 O4'-C1'-N19 112.591 5.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 P-O3'-C3' 122.596 2.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.764 0 O4'-C1'-C2' 102.847 -2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 0 C1'-O4'-C4' 105.397 -3.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 O4'-C1'-N19 110.621 3.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.741 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 C3'-C2'-C1' 99.382 -2.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O3'-C3' 122.774 2.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.794 1 O4'-C1'-C2' 101.372 -4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.872 1 O4'-C1'-N19 112.958 6.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.667 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.85 1 O4'-C1'-N19 113.655 7.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.607 1 O4'-C1'-N19 113.653 7.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.085 0 O4'-C4'-C3' 108.266 2.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 P-O3'-C3' 122.829 2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 O4'-C1'-C2' 102.931 -2.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 1 O4'-C1'-N19 111.583 4.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C4'-C3' 108.118 2.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 121.516 0.674 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -76.93 112.2 13.28 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -59.65 119.3 7.34 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -77.86 136.59 38.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.1 mt -106.68 144.23 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.958 0.903 . . . . 0.0 110.289 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.63 119.49 10.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.821 1.249 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.44 -41.06 5.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.745 2.018 . . . . 0.0 112.349 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -75.37 66.11 1.76 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.34 1.056 . . . . 0.0 108.822 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -18.36 -61.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 129.026 2.93 . . . . 0.0 115.077 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.09 -38.36 2.34 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.809 1.644 . . . . 0.0 113.02 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -56.05 -35.87 67.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.862 1.265 . . . . 0.0 112.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.25 27.38 60.26 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.18 0.895 . . . . 0.0 113.982 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.05 142.68 27.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.52 145.95 24.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 118.418 -0.801 . . . . 0.0 108.889 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -149.01 149.25 30.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.415 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -53.47 -50.54 65.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.286 1.434 . . . . 0.0 114.111 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -95.79 143.47 26.99 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.53 -49.13 73.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.322 175.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.0 p-90 -54.16 -40.88 67.88 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.286 0.494 . . . . 0.0 111.501 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -67.05 -48.37 68.5 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.06 -44.1 93.45 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -47.01 77.63 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.269 -0.894 . . . . 0.0 110.125 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.94 71.79 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -49.73 -49.53 47.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.809 0.731 . . . . 0.0 110.625 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -54.05 -22.37 10.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.672 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 p -54.84 -33.15 61.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.695 1.134 . . . . 0.0 110.531 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -53.12 -45.73 68.43 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 123.238 0.615 . . . . 0.0 111.611 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -90.17 -46.1 8.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.459 0.703 . . . . 0.0 111.921 -174.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -83.95 -26.97 28.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -174.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.99 9.92 80.36 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -78.38 156.82 29.29 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.525 1.163 . . . . 0.0 111.671 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -134.18 76.56 63.13 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.81 -24.56 3.12 Favored 'Trans proline' 0 CA--C 1.534 0.485 1 C-N-CA 126.091 4.527 . . . . 0.0 119.012 -173.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -113.65 84.99 8.7 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 111.23 -175.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.01 142.61 28.04 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.279 1.986 . . . . 0.0 111.261 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -90.44 93.01 9.13 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -76.01 50.82 0.62 Allowed 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.474 -0.766 . . . . 0.0 112.391 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.08 159.86 14.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.44 1.496 . . . . 0.0 109.917 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.48 123.27 20.35 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.28 -52.92 3.06 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.228 0.442 . . . . 0.0 112.269 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.46 55.71 1.03 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.811 1.244 . . . . 0.0 110.62 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.97 64.46 4.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.611 0.765 . . . . 0.0 109.614 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -73.0 164.29 26.92 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.672 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.03 107.81 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.39 -2.684 . . . . 0.0 106.39 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -101.66 147.63 26.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.092 0.946 . . . . 0.0 110.115 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -85.66 -17.87 34.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.19 0.996 . . . . 0.0 112.962 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.0 p -142.02 155.46 45.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.293 0.951 . . . . 0.0 112.04 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.18 -39.89 88.05 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.369 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -43.23 94.85 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.912 -0.566 . . . . 0.0 110.276 178.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -55.64 -46.63 77.43 Favored 'General case' 0 C--N 1.344 0.327 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.34 -45.75 92.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.139 0.495 . . . . 0.0 110.65 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.9 m -57.49 -56.03 27.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 110.186 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -63.27 -38.89 92.94 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.865 -0.522 . . . . 0.0 110.166 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -55.77 -41.37 73.93 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.377 -0.827 . . . . 0.0 109.546 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -56.17 -19.24 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.98 -33.38 70.6 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.271 -0.893 . . . . 0.0 109.463 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -67.64 -34.64 77.37 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.181 0.446 . . . . 0.0 111.367 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -77.31 -50.59 12.5 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.1 p -67.64 -28.58 67.84 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.269 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.16 67.02 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.663 1.125 . . . . 0.0 111.318 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -79.77 50.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.295 1.047 . . . . 0.0 112.353 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -78.79 63.44 3.53 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.329 2.251 . . . . 0.0 107.63 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -99.25 0.57 43.42 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -75.87 83.7 2.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.963 1.256 . . . . 0.0 109.79 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -79.66 119.42 22.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 127.511 2.324 . . . . 0.0 110.51 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -59.93 114.98 3.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.98 72.65 2.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -144.44 116.29 8.27 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.49 129.35 18.89 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.995 0.918 . . . . 0.0 110.898 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.56 -54.68 4.63 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.7 t -77.54 48.53 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.713 1.205 . . . . 0.0 109.969 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.64 52.86 2.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 120.951 -1.093 . . . . 0.0 109.574 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.31 131.73 45.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.21 125.86 42.02 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 124.893 1.277 . . . . 0.0 108.953 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -114.8 159.41 20.64 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.876 0.87 . . . . 0.0 111.432 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -69.24 -39.98 78.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.177 1.391 . . . . 0.0 112.409 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -132.76 156.84 46.35 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.259 0.552 . . . . 0.0 110.582 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.01 -42.96 91.4 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.585 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.562 -0.711 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.6 -47.05 87.11 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.905 0.775 . . . . 0.0 108.977 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.3 ttp -55.3 -48.71 73.7 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.022 0.529 . . . . 0.0 110.369 176.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -59.63 -50.96 71.83 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.875 0.87 . . . . 0.0 110.299 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -55.35 -46.65 76.41 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.764 0.711 . . . . 0.0 109.801 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -57.89 -55.1 39.28 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.238 0.472 . . . . 0.0 109.853 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -51.65 -44.58 63.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.742 0.782 . . . . 0.0 109.403 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -60.76 -61.78 2.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.825 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -46.75 -46.91 20.74 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.996 1.318 . . . . 0.0 112.557 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -95.33 -23.25 17.28 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -125.35 -23.56 4.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.809 1.186 . . . . 0.0 113.713 -173.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -91.27 -65.45 1.01 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.554 1.07 . . . . 0.0 108.372 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.9 pt -91.45 -7.5 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.5 mptt . . . . . 0 CA--C 1.533 0.301 0 C-N-CA 123.925 0.89 . . . . 0.0 110.188 -179.36 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.478 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.714 4.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.51 0 P-O3'-C3' 123.911 3.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.633 1 O4'-C1'-N19 111.454 4.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.644 0 O4'-C1'-N19 110.897 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 N19-C1'-C2' 109.257 -3.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.31 2 O4'-C1'-N19 113.635 7.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 C5'-C4'-C3' 110.948 -2.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.099 0 O4'-C1'-C2' 103.316 -2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.34 0 O4'-C1'-N19 110.302 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 0 O4'-C1'-N19 110.219 3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.01 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.488 0 P-O3'-C3' 122.856 2.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.698 0 O4'-C1'-N19 110.294 3.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.586 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 O4'-C1'-N19 110.416 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 P-O3'-C3' 122.846 2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . 0.401 " H2'" ' H72' ' F' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.833 1 O4'-C1'-N19 112.196 5.495 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . 0.401 ' H72' " H2'" ' F' ' 20' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O4'-C1'-N19 110.106 2.882 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 2 O4'-C1'-N19 116.432 10.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.856 1 O4'-C1'-N19 113.332 6.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 C5'-C4'-C3' 110.817 -2.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.082 0 P-O3'-C3' 122.61 2.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.734 0 P-O3'-C3' 123.308 3.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.59 0 O4'-C1'-C2' 102.433 -3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.017 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.532 0 O4'-C4'-C3' 108.113 2.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 0 O4'-C1'-N19 110.601 3.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 ptm . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -58.06 140.92 51.56 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -72.81 100.1 2.8 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -76.64 130.16 37.41 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.8 mt -88.9 144.62 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.613 0.765 . . . . 0.0 112.627 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.89 127.88 34.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.351 1.86 . . . . 0.0 110.44 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.17 -43.25 9.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.137 1.775 . . . . 0.0 112.422 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -75.89 64.74 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.907 0.883 . . . . 0.0 109.073 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.23 -62.47 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.797 2.839 . . . . 0.0 115.336 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.13 -37.56 2.09 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.862 1.665 . . . . 0.0 113.129 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.01 -35.76 59.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.448 1.499 . . . . 0.0 112.038 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.62 23.22 62.67 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.898 0.761 . . . . 0.0 114.1 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.09 144.27 26.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.73 144.52 24.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.333 -0.842 . . . . 0.0 109.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -146.06 156.06 43.21 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.889 0.768 . . . . 0.0 112.118 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -73.12 -29.99 63.3 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -173.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -114.62 142.51 46.36 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.623 0.769 . . . . 0.0 110.364 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.37 -47.76 80.8 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.614 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.52 -41.48 66.42 Favored 'General case' 0 C--N 1.341 0.236 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -66.58 -46.74 74.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.98 -40.05 79.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.52 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -61.7 -45.73 92.72 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.699 0.682 . . . . 0.0 109.83 177.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.98 68.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.435 0.694 . . . . 0.0 110.228 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -69.03 -59.28 3.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.3 mt -48.96 -30.82 6.43 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 125.009 1.323 . . . . 0.0 112.751 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 p -49.79 -34.86 20.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.711 0.687 . . . . 0.0 111.108 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.1 -35.79 77.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.786 0.434 . . . . 0.0 111.941 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -90.22 -48.18 7.32 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.165 0.586 . . . . 0.0 111.151 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -87.2 -28.14 22.58 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 9.44 86.98 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -172.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -77.54 139.98 39.66 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.861 1.331 . . . . 0.0 111.405 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -135.53 80.08 45.93 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.74 -25.95 4.12 Favored 'Trans proline' 0 C--N 1.348 0.507 1 C-N-CA 125.853 4.369 . . . . 0.0 118.76 -174.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.32 80.34 2.5 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 119.182 0.901 . . . . 0.0 110.634 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.91 150.58 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.54 2.16 . . . . 0.0 111.61 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.8 t -91.18 82.94 5.49 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -73.28 51.54 0.33 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -95.23 158.38 15.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.048 1.339 . . . . 0.0 108.731 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -64.41 129.16 38.81 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.03 -57.14 3.15 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.943 -0.473 . . . . 0.0 112.318 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.6 t -77.27 51.43 0.85 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.263 1.025 . . . . 0.0 110.933 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.32 66.29 4.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.896 0.879 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -74.75 167.45 21.79 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.145 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.45 113.0 1.28 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -115.0 150.2 36.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.056 0.928 . . . . 0.0 109.789 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -87.29 -12.38 46.74 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -146.46 160.27 42.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.18 0.9 . . . . 0.0 109.466 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.89 -42.65 99.85 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -67.67 -39.46 84.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.866 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -58.22 -47.12 84.48 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.07 -42.45 90.39 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.407 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 m -61.04 -52.8 63.45 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.592 -0.693 . . . . 0.0 111.039 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -55.77 -39.53 71.35 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.723 0.692 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.23 -49.95 73.7 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.4 m -51.21 -31.38 20.24 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.591 0.756 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.5 mt -50.49 -31.98 16.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.56 0.618 . . . . 0.0 111.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.5 p -64.72 -29.86 70.86 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.162 -0.336 . . . . 0.0 111.715 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.24 -48.79 15.0 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 123.915 0.886 . . . . 0.0 109.453 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.1 p -71.44 -24.83 62.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.379 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 33.04 44.71 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.11 56.87 2.53 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 122.011 0.91 . . . . 0.0 111.217 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -78.99 77.31 5.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -122.99 -4.27 8.54 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.83 86.42 2.81 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.99 1.268 . . . . 0.0 108.351 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.9 m -77.27 118.53 19.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.065 1.746 . . . . 0.0 111.356 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.49 117.4 4.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -75.22 70.95 2.2 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.867 0.467 . . . . 0.0 110.156 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -147.17 118.54 7.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.74 139.31 26.83 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.95 0.5 . . . . 0.0 109.794 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.79 -61.05 4.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.24 49.34 0.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.646 0.778 . . . . 0.0 110.233 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -83.07 51.71 2.01 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 120.993 -1.067 . . . . 0.0 108.739 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.78 129.85 39.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -98.68 123.04 42.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.92 160.92 14.4 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.041 0.936 . . . . 0.0 110.613 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -70.41 -38.44 74.61 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.671 1.188 . . . . 0.0 112.217 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.0 p -131.17 156.42 45.34 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.309 0.504 . . . . 0.0 110.2 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -57.05 -45.71 82.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.59 87.87 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.762 -0.637 . . . . 0.0 111.535 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.8 -44.88 96.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.597 1.089 . . . . 0.0 108.972 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.1 ttp -56.47 -47.98 78.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.975 0.51 . . . . 0.0 109.864 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -58.42 -50.19 74.6 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.346 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.8 -48.86 72.23 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.328 0.967 . . . . 0.0 109.641 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -53.36 -52.15 60.17 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -56.7 -46.8 81.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.167 0.508 . . . . 0.0 111.149 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.04 -37.33 76.74 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.577 1.551 . . . . 0.0 110.634 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -79.2 -38.1 36.62 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.059 0.944 . . . . 0.0 111.456 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -97.92 -74.28 0.58 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -174.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.28 -28.98 61.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.008 0.523 . . . . 0.0 112.374 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -70.45 -31.84 69.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mt -98.36 35.73 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt . . . . . 0 C--N 1.341 0.198 0 C-N-CA 124.472 1.109 . . . . 0.0 110.814 -177.817 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C4'-C3' 108.114 2.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 0 O4'-C1'-N19 110.335 3.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 1 O4'-C1'-N19 111.639 4.798 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 P-O3'-C3' 123.556 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 1 O4'-C1'-N19 112.179 5.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.576 0 O4'-C1'-N19 110.973 3.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 0 N19-C1'-C2' 108.606 -3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.466 2 O4'-C1'-N19 112.648 6.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 112.043 5.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 0 P-O3'-C3' 123.417 3.097 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.477 1 O4'-C1'-N19 112.493 5.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 P-O3'-C3' 123.124 2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.729 0 O4'-C1'-C2' 102.997 -2.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.471 0 C1'-O4'-C4' 105.6 -2.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 0 O4'-C1'-N19 110.558 3.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 1 O4'-C1'-N19 111.66 4.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.558 0 O4'-C1'-N19 110.192 2.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.866 0 P-O3'-C3' 122.817 2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 1 O4'-C1'-C2' 101.571 -4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 1 O4'-C1'-N19 112.931 6.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.505 0 O4'-C1'-N19 110.443 3.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.134 0 O4'-C1'-N19 110.344 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 1 O4'-C1'-N19 113.637 7.296 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 0 O4'-C4'-C3' 108.352 2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.693 0 O4'-C4'-C3' 108.008 2.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.829 1 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.701 0 O4'-C1'-C2' 102.754 -3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.058 0 O4'-C1'-N19 110.917 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 0 C4'-C3'-C2' 100.825 -2.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.494 0 P-O3'-C3' 123.482 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.96 0.41 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -75.63 142.19 42.67 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -134.23 148.29 50.82 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -80.28 133.54 35.98 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 104.391 -2.448 . . . . 0.0 104.391 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 143.98 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.886 0.875 . . . . 0.0 109.963 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.51 117.24 7.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.716 1.206 . . . . 0.0 110.197 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -43.2 -40.32 3.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 126.923 2.089 . . . . 0.0 112.905 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.71 65.33 1.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.482 1.113 . . . . 0.0 109.336 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.89 -63.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 129.009 2.923 . . . . 0.0 115.241 -177.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.81 -37.86 2.98 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.722 1.609 . . . . 0.0 113.059 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.6 t -56.23 -34.65 66.54 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.017 1.327 . . . . 0.0 112.031 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.7 27.17 61.16 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.405 1.002 . . . . 0.0 114.193 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.85 142.98 27.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 118.103 0.952 . . . . 0.0 108.918 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.78 148.94 25.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -147.29 158.67 44.05 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.005 0.522 . . . . 0.0 110.546 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -75.02 -53.12 9.47 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 124.042 0.937 . . . . 0.0 111.559 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -82.19 129.38 34.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.795 -0.565 . . . . 0.0 110.758 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -49.37 -48.8 46.54 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.403 0.681 . . . . 0.0 111.296 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -55.62 -36.57 67.11 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.103 0.961 . . . . 0.0 112.562 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -66.86 -48.24 69.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.51 -35.03 79.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.021 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.07 -50.44 73.71 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 120.705 -1.247 . . . . 0.0 109.359 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.79 79.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -57.81 -54.26 48.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.185 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.01 -36.57 63.13 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.736 -0.603 . . . . 0.0 111.964 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.5 p -54.38 -31.33 54.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.217 0.917 . . . . 0.0 111.615 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.01 -39.5 74.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.31 0.504 . . . . 0.0 111.066 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -90.75 -49.88 6.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.447 0.699 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -80.28 -30.62 38.32 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -172.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.13 8.1 82.8 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -172.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.79 152.61 31.3 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.824 1.312 . . . . 0.0 110.684 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -131.55 77.28 73.59 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.477 1.111 . . . . 0.0 108.278 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -50.99 -21.03 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.388 1 C-N-CA 125.588 4.192 . . . . 0.0 118.694 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -112.1 79.03 2.59 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 119.778 1.172 . . . . 0.0 111.133 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.29 139.18 28.75 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.669 2.246 . . . . 0.0 110.019 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.81 -20.85 48.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.958 0.903 . . . . 0.0 111.381 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 66.38 -38.82 0.31 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.922 2.089 . . . . 0.0 116.337 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -42.96 137.46 2.37 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.266 1.026 . . . . 0.0 112.773 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -55.2 130.9 43.92 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.6 -61.74 3.58 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.11 47.51 0.67 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.507 1.123 . . . . 0.0 110.432 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -84.71 60.21 6.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.99 155.74 35.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.252 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.28 100.53 0.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 106.764 -2.535 . . . . 0.0 106.764 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -96.55 148.77 22.49 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.274 1.037 . . . . 0.0 109.97 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -96.18 -7.57 35.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.397 1.079 . . . . 0.0 112.194 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 p -147.08 139.06 24.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.599 0.636 . . . . 0.0 111.841 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.49 -45.82 73.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.48 1.112 . . . . 0.0 110.334 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -56.27 -44.35 79.68 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -63.14 -47.44 82.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.6 -45.6 77.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.464 0.649 . . . . 0.0 110.267 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -56.85 -57.48 12.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.505 0.722 . . . . 0.0 110.167 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -67.64 -32.69 73.55 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.126 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.52 -42.97 71.48 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.175 -0.953 . . . . 0.0 108.806 174.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.5 m -53.81 -23.98 14.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.97 -33.85 58.1 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.433 1.015 . . . . 0.0 110.499 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.9 p -65.14 -30.73 71.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.373 0.269 . . . . 0.0 110.965 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.74 -49.05 12.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 124.348 1.059 . . . . 0.0 109.551 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 p -70.23 -23.72 62.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.483 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.84 55.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.01 46.26 0.79 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.758 -0.848 . . . . 0.0 111.936 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.82 66.62 4.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.968 2.107 . . . . 0.0 108.46 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -112.57 1.83 15.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -173.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.13 88.11 2.44 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 120.022 1.283 . . . . 0.0 109.574 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.5 m -77.02 119.62 20.99 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 126.313 1.845 . . . . 0.0 111.949 -173.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.69 122.16 12.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -75.38 68.85 2.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.062 0.945 . . . . 0.0 109.819 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -148.05 116.75 6.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.85 135.69 41.58 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.294 0.638 . . . . 0.0 110.151 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.13 -58.08 4.84 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.4 t -78.21 49.94 0.87 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.749 0.819 . . . . 0.0 109.923 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -83.19 52.13 2.13 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.925 -1.109 . . . . 0.0 108.864 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.52 129.76 40.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -101.39 121.01 41.15 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -105.16 166.74 10.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.36 1.064 . . . . 0.0 111.925 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -67.59 -54.81 16.67 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.377 1.871 . . . . 0.0 112.945 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.8 p -126.47 155.83 41.64 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.37 -40.24 61.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.116 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.71 -27.72 69.46 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.172 0.896 . . . . 0.0 112.807 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -67.0 -46.99 72.86 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.99 -45.73 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.02 0.928 . . . . 0.0 109.462 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.03 -50.55 72.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.494 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -50.76 -52.97 35.6 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 119.321 0.964 . . . . 0.0 109.061 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -53.59 -54.01 43.6 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.626 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.4 -49.16 73.09 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.327 0.512 . . . . 0.0 110.963 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -54.63 -44.63 73.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.774 1.629 . . . . 0.0 110.27 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -74.87 -32.06 61.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 112.299 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -104.86 -78.13 0.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -174.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -75.79 -24.97 56.01 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 124.028 0.931 . . . . 0.0 113.235 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -72.35 -29.69 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.5 mt -81.95 -56.12 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.216 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.67 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.127 0 P-O3'-C3' 122.725 2.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 1 O4'-C1'-N19 111.484 4.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 P-O3'-C3' 123.183 2.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.556 1 O4'-C1'-N19 112.054 5.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.137 2.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.065 2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 0 O4'-C1'-N19 110.983 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.313 0 O4'-C1'-N19 110.872 3.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.685 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.126 0 O4'-C1'-N19 109.71 2.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 1 O4'-C1'-N19 111.829 5.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 O4'-C1'-N19 110.384 3.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 0 O4'-C1'-N19 110.922 3.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.689 0 O4'-C1'-C2' 102.899 -2.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 1 O4'-C1'-N19 112.554 5.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.309 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C1'-C2' 102.712 -3.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-N19 113.487 7.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 109.861 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 1 O4'-C1'-N19 113.183 6.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 1 O4'-C1'-N19 112.848 6.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C4'-C3' 108.247 2.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.738 0 P-O3'-C3' 122.635 2.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.996 1 O4'-C1'-N19 111.737 4.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 O4'-C1'-C2' 103.188 -2.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.903 1 O4'-C1'-N19 111.662 4.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C4'-C3' 108.116 2.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.673 0 O4'-C1'-N19 110.143 2.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.478 ' H1 ' ' HE3' ' A' ' 26' ' ' LYS . 22.7 mmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -65.22 112.95 3.67 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -53.31 112.09 0.82 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -78.63 130.94 36.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.34 141.61 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.2 118.75 7.25 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.087 1.755 . . . . 0.0 110.775 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -50.05 -33.75 19.33 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.212 1.805 . . . . 0.0 113.197 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -70.79 76.18 0.62 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.723 0.809 . . . . 0.0 109.011 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.4 69.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.966 2.507 . . . . 0.0 113.58 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -172.28 -50.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 130.143 3.377 . . . . 0.0 104.862 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -83.32 72.42 10.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.73 53.89 0.22 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 127.132 2.301 . . . . 0.0 113.774 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.59 152.4 20.3 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.623 1.169 . . . . 0.0 108.057 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.94 144.52 22.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.319 -0.848 . . . . 0.0 108.979 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -148.21 148.68 30.79 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -34.96 -51.68 0.52 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.818 2.447 . . . . 0.0 116.717 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HE3' ' H1 ' ' A' ' 1' ' ' MET . 28.8 mmtp -123.04 155.59 36.57 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -54.53 -48.14 72.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.675 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 -58.71 -39.52 81.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.596 0.758 . . . . 0.0 110.065 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -48.73 76.38 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.34 -42.74 87.54 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.017 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.56 -45.7 84.83 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 119.322 0.965 . . . . 0.0 110.215 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.24 76.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.298 -0.251 . . . . 0.0 110.685 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -65.95 -55.71 15.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.661 174.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.39 -34.43 34.38 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 124.34 1.056 . . . . 0.0 112.267 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -52.26 -30.33 27.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.733 0.697 . . . . 0.0 111.282 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.53 -35.68 72.67 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.981 0.512 . . . . 0.0 110.629 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -90.36 -51.13 5.58 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.302 1.041 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 p -87.31 -24.46 24.3 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.13 10.09 77.59 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.88 143.5 37.7 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.664 1.232 . . . . 0.0 109.75 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -131.18 77.95 73.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -46.5 -27.29 4.96 Favored 'Trans proline' 0 C--N 1.345 0.393 1 C-N-CA 125.421 4.08 . . . . 0.0 119.009 -174.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.1 83.15 3.61 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 119.685 1.13 . . . . 0.0 111.715 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.78 141.61 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.186 1.924 . . . . 0.0 110.918 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.55 85.83 7.15 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -75.04 55.84 0.74 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.374 -0.829 . . . . 0.0 111.774 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -94.3 170.91 9.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.098 1.759 . . . . 0.0 109.854 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.51 113.67 7.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 -46.82 2.04 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.408 0.527 . . . . 0.0 113.571 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.8 t -75.66 57.78 1.02 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.788 1.235 . . . . 0.0 111.012 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -78.84 65.53 4.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.77 0.828 . . . . 0.0 110.496 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -73.36 162.51 29.25 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.27 104.59 0.82 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.844 -2.502 . . . . 0.0 106.844 176.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.74 140.92 34.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.202 1.001 . . . . 0.0 109.094 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -81.94 -12.1 58.55 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.694 -0.628 . . . . 0.0 112.487 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 p -148.06 155.7 41.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.385 0.993 . . . . 0.0 112.126 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.893 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -60.93 -46.0 92.42 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.719 -0.613 . . . . 0.0 110.348 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -56.81 -48.42 78.01 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.6 -42.35 74.7 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.27 0.628 . . . . 0.0 110.159 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.9 m -61.44 -54.67 40.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.119 0.568 . . . . 0.0 109.932 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -62.39 -38.25 88.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.004 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -58.36 -45.37 88.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.541 -0.724 . . . . 0.0 110.557 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 p -55.07 -22.02 14.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.73 -33.62 68.63 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.733 -0.604 . . . . 0.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 p -69.62 -33.15 72.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.087 0.403 . . . . 0.0 111.553 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -76.94 -50.32 13.53 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.4 p -68.96 -29.31 67.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.947 0.499 . . . . 0.0 111.515 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.29 23.07 59.48 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.538 1.066 . . . . 0.0 110.548 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.89 51.61 1.14 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.059 0.929 . . . . 0.0 112.215 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -79.37 62.71 3.79 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.658 1.983 . . . . 0.0 107.843 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -102.38 -1.47 30.8 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -172.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -75.73 84.79 2.73 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.747 1.158 . . . . 0.0 109.635 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -79.74 122.03 26.08 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.242 2.217 . . . . 0.0 110.71 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.91 115.96 4.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -74.33 74.87 1.87 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.3 t -149.42 112.67 4.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.08 131.9 23.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.671 0.789 . . . . 0.0 110.916 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.59 -56.31 4.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.8 t -77.76 44.81 0.47 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.841 1.256 . . . . 0.0 109.984 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -83.79 53.01 2.41 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 120.901 -1.124 . . . . 0.0 109.66 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.89 133.08 47.75 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -97.81 123.66 41.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 125.05 1.34 . . . . 0.0 108.879 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -112.98 158.46 20.23 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.836 0.855 . . . . 0.0 111.527 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -69.17 -42.92 75.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.838 1.255 . . . . 0.0 111.984 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.5 p -127.02 155.84 42.59 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 110.691 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -59.26 -40.93 87.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.47 98.61 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.795 -0.566 . . . . 0.0 110.809 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.07 -46.15 89.01 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.242 0.928 . . . . 0.0 109.224 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 52.7 ttp -55.03 -49.04 72.54 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.896 0.479 . . . . 0.0 109.921 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.04 -48.48 81.55 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.592 0.757 . . . . 0.0 110.414 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.42 -51.62 64.32 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 119.359 0.981 . . . . 0.0 109.386 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -54.94 -54.97 35.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.698 0.285 . . . . 0.0 110.308 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -52.77 -44.68 66.7 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.711 0.767 . . . . 0.0 109.557 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.41 -61.8 2.33 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -47.23 -48.93 24.16 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.102 1.361 . . . . 0.0 112.38 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -92.13 -23.74 19.33 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -173.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.73 -28.0 3.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.864 1.211 . . . . 0.0 113.695 -173.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -86.89 -65.12 1.05 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.51 1.05 . . . . 0.0 108.631 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.2 pt -91.08 -3.87 10.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 123.021 0.529 . . . . 0.0 112.424 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 124.111 0.964 . . . . 0.0 110.444 -179.646 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.633 0 O4'-C1'-N19 110.487 3.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-N19 110.033 2.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.566 1 O4'-C1'-N19 111.346 4.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 P-O3'-C3' 123.441 3.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.59 1 O4'-C1'-N19 112.728 6.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C4'-C3' 108.118 2.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.087 0 O4'-C1'-N19 110.283 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.749 6.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 P-O3'-C3' 123.26 2.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.539 3.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.76 0 P-O3'-C3' 123.4 3.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.889 0 O4'-C1'-C2' 102.81 -2.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.42 0 C1'-O4'-C4' 105.929 -2.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.83 0 O4'-C1'-N19 110.312 3.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 1 O4'-C1'-N19 111.6 4.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.0 0 O4'-C1'-C2' 102.668 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 0 P-O3'-C3' 124.098 3.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 0 O4'-C1'-C2' 103.045 -2.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.748 0 O4'-C1'-C2' 103.287 -2.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.834 1 O4'-C1'-N19 111.353 4.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 113.978 7.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.698 1 O4'-C1'-N19 112.505 5.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C4'-C3' 108.231 2.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 O4'-C1'-C2' 103.319 -2.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.968 1 O4'-C1'-N19 111.521 4.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.579 0 O4'-C1'-C2' 102.882 -2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.87 1 O4'-C1'-N19 111.6 4.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 0 O4'-C4'-C3' 108.031 2.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.632 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.1 151.79 30.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.695 0.798 . . . . 0.0 109.776 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.22 153.97 29.89 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.207 1.003 . . . . 0.0 110.427 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -101.36 136.21 41.59 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 102.903 -2.999 . . . . 0.0 102.903 168.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 14' ' ' ILE . 1.9 mp -103.98 145.11 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.997 0.919 . . . . 0.0 108.724 -176.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.56 114.41 6.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.362 1.065 . . . . 0.0 109.169 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -42.67 -38.79 2.16 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.722 2.009 . . . . 0.0 113.234 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.97 66.38 1.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.334 1.054 . . . . 0.0 108.982 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.13 -61.35 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 128.697 2.799 . . . . 0.0 115.071 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.95 -38.78 3.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.657 1.583 . . . . 0.0 112.951 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.8 t -56.7 -34.95 67.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.937 1.295 . . . . 0.0 112.066 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.09 60.32 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.361 0.981 . . . . 0.0 114.187 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.43 147.8 23.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.106 0.953 . . . . 0.0 108.918 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.89 151.03 17.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -151.31 155.76 39.39 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.606 0.639 . . . . 0.0 109.742 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -63.54 -62.91 1.36 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.482 0.658 . . . . 0.0 111.963 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -78.59 124.66 28.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.809 -173.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -46.99 -47.55 21.95 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.431 1.092 . . . . 0.0 111.774 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 17.5 p-90 -50.62 -42.53 56.27 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.259 0.624 . . . . 0.0 111.074 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -69.5 -45.18 69.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.92 -34.53 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.49 -48.76 71.48 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.042 -1.036 . . . . 0.0 108.95 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.97 -37.13 63.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.433 0.693 . . . . 0.0 109.914 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -69.26 -59.28 3.12 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 121.648 -0.657 . . . . 0.0 109.536 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 mt -47.4 -34.79 7.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.444 1.098 . . . . 0.0 112.647 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -46.25 -38.2 8.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.255 0.622 . . . . 0.0 111.729 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.58 -42.15 70.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.979 0.912 . . . . 0.0 111.745 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -91.37 -47.12 7.64 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.708 0.803 . . . . 0.0 111.819 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.5 p -85.16 -29.3 24.87 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 11.21 84.23 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -172.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -76.97 129.25 35.89 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.075 1.438 . . . . 0.0 109.515 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -131.84 79.41 67.95 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.62 -32.64 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 124.724 3.616 . . . . 0.0 117.185 -176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -114.77 77.01 4.44 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 118.89 0.768 . . . . 0.0 112.189 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.48 160.56 22.47 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.064 2.509 . . . . 0.0 108.337 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.2 t -82.15 -9.42 59.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.32 1.448 . . . . 0.0 113.209 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.32 -48.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.722 1.609 . . . . 0.0 114.571 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -43.07 140.36 1.48 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.885 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -55.9 127.85 32.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.56 -61.54 3.58 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.1 t -78.3 55.97 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.124 0.97 . . . . 0.0 109.76 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -81.63 -29.25 33.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.968 0.907 . . . . 0.0 110.108 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 42.1 -143.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.923 2.089 . . . . 0.0 112.833 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.6 94.31 0.1 OUTLIER Glycine 0 CA--C 1.521 0.417 0 N-CA-C 106.864 -2.494 . . . . 0.0 106.864 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.59 -1.22 30.75 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p 62.66 -25.7 0.06 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.02 2.23 . . . . 0.0 117.02 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -138.1 158.58 44.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.614 1.552 . . . . 0.0 109.245 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.7 -43.23 89.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -64.22 -42.81 96.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.103 -0.373 . . . . 0.0 110.817 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -56.66 -47.87 78.84 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.988 0.899 . . . . 0.0 108.641 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.01 -37.2 81.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.896 -0.503 . . . . 0.0 111.222 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.3 m -62.07 -50.33 72.41 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.3 -0.875 . . . . 0.0 109.408 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -61.23 -41.36 96.74 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.264 -0.974 . . . . 0.0 110.05 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -53.43 -46.36 69.79 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.796 0.725 . . . . 0.0 110.182 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -54.17 -24.11 16.9 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.4 mt -54.88 -32.33 60.76 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.131 0.878 . . . . 0.0 110.402 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -64.94 -31.73 73.1 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 117.822 0.283 . . . . 0.0 111.05 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -80.72 -48.82 12.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.842 0.857 . . . . 0.0 109.669 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -71.37 -23.81 61.97 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.41 68.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -79.86 55.35 2.06 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.875 0.845 . . . . 0.0 112.178 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -78.61 90.91 4.56 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.317 2.247 . . . . 0.0 106.507 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -131.79 -0.96 3.82 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -76.07 82.86 2.92 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 121.065 1.757 . . . . 0.0 109.42 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -76.72 108.98 10.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.527 1.931 . . . . 0.0 110.462 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.7 t -61.94 142.44 57.43 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -93.06 -96.92 0.14 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t 52.33 -147.03 0.47 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.995 0.918 . . . . 0.0 110.008 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.72 61.36 1.38 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.329 1.052 . . . . 0.0 109.918 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.27 35.55 85.1 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.805 0.716 . . . . 0.0 111.651 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -83.59 62.5 6.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.82 58.67 0.33 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.183 0.993 . . . . 0.0 113.326 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.96 117.35 26.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -87.74 100.27 12.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.366 1.466 . . . . 0.0 108.886 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -87.19 157.05 19.43 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.388 0.613 . . . . 0.0 111.055 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.8 p -71.7 -38.98 70.48 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.513 1.125 . . . . 0.0 111.517 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.6 p -132.96 155.51 48.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.181 0.515 . . . . 0.0 110.383 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -59.51 -39.85 85.18 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.47 99.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.857 -0.527 . . . . 0.0 110.952 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.96 -46.29 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.849 0.749 . . . . 0.0 109.349 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.5 ttp -54.97 -46.78 75.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.952 0.501 . . . . 0.0 110.423 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -62.68 -48.76 77.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.61 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -55.74 -47.84 76.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.636 1.107 . . . . 0.0 109.262 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -53.23 -53.32 52.41 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -55.41 -47.99 75.08 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.099 -0.375 . . . . 0.0 110.96 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -54.82 -45.25 74.4 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.765 1.626 . . . . 0.0 110.162 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -73.09 -38.37 66.42 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.879 0.872 . . . . 0.0 112.243 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -97.73 -74.49 0.57 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -75.65 -29.42 59.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.385 0.674 . . . . 0.0 112.575 -169.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.54 -31.3 65.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 mt -79.01 -52.85 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.527 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.742 0 O4'-C1'-N19 110.19 2.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.34 0 C1'-O4'-C4' 106.371 -2.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.429 1 O4'-C1'-N19 111.889 5.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.074 2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.356 1 O4'-C1'-N19 112.392 5.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C1'-N19 110.364 3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 110.319 3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.14 2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.707 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.412 1 O4'-C1'-N19 111.598 4.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 P-O3'-C3' 122.682 2.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.926 1 O4'-C1'-N19 112.08 5.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.316 0 P-O3'-C3' 122.676 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 1 O4'-C1'-N19 111.554 4.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.774 1 O4'-C1'-N19 111.457 4.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.302 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 O4'-C1'-N19 109.785 2.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.777 0 O4'-C1'-C2' 102.668 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 1 O4'-C1'-N19 112.674 6.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.782 0 P-O3'-C3' 123.106 2.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 1 O4'-C1'-N19 111.897 5.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.626 1 O4'-C1'-N19 113.71 7.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C4'-C3' 108.137 2.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.078 0 O4'-C1'-C2' 103.086 -2.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.988 1 O4'-C1'-N19 111.204 4.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.469 0 P-O3'-C3' 122.63 2.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.081 1 O4'-C1'-N19 111.542 4.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 O4'-C4'-C3' 108.073 2.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.18 0 P-O3'-C3' 122.655 2.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -78.46 54.78 1.49 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.651 0.78 . . . . 0.0 110.189 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 50.97 -131.91 1.98 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -153.45 131.72 11.97 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 101.0 -3.704 . . . . 0.0 101.0 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.05 142.62 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.448 0.699 . . . . 0.0 110.503 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.39 118.73 8.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.678 1.191 . . . . 0.0 110.102 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -46.92 -37.79 9.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.172 1.789 . . . . 0.0 113.103 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.18 64.84 1.47 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.499 1.12 . . . . 0.0 109.559 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -12.3 -67.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.316 3.047 . . . . 0.0 115.479 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.52 -37.95 2.68 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.842 1.657 . . . . 0.0 113.138 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -34.87 67.25 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.972 1.309 . . . . 0.0 111.948 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.03 30.6 54.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.868 1.223 . . . . 0.0 114.531 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.81 145.19 24.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.021 0.911 . . . . 0.0 108.714 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.15 147.07 24.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -149.1 147.21 28.22 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 118.273 0.488 . . . . 0.0 110.559 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -66.89 -46.39 75.06 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 125.573 1.549 . . . . 0.0 111.474 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -77.86 108.78 11.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -47.54 -44.7 26.15 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.862 1.265 . . . . 0.0 111.859 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -60.28 -34.68 74.09 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.179 0.992 . . . . 0.0 111.589 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -71.39 -41.49 69.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.4 -40.97 98.66 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 173.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.846 -1.159 . . . . 0.0 110.284 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -44.71 75.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -57.79 -53.64 55.88 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.557 -0.714 . . . . 0.0 110.109 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.5 -40.9 39.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 121.534 -0.729 . . . . 0.0 111.969 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 p -51.66 -31.6 26.26 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.622 0.646 . . . . 0.0 111.868 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -54.27 -43.34 70.93 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.584 0.629 . . . . 0.0 111.155 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -91.04 -51.36 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.993 0.917 . . . . 0.0 111.61 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 p -76.98 -31.2 56.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.023 1.329 . . . . 0.0 113.864 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.0 8.86 74.9 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -171.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.97 149.37 32.29 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 118.736 1.268 . . . . 0.0 111.024 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -134.09 77.92 60.41 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.542 1.137 . . . . 0.0 108.343 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.5 -26.18 5.98 Favored 'Trans proline' 0 C--N 1.346 0.403 1 C-N-CA 125.963 4.442 . . . . 0.0 119.171 -174.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -108.68 85.9 3.3 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 119.318 0.963 . . . . 0.0 111.236 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -74.01 145.66 35.91 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.005 1.804 . . . . 0.0 110.404 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.18 -24.23 43.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.92 0.888 . . . . 0.0 111.381 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt 65.43 -33.61 0.17 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -44.78 136.42 4.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.559 1.072 . . . . 0.0 112.093 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.27 126.03 13.89 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.053 0.941 . . . . 0.0 109.789 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.82 -58.6 3.86 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.4 t -77.26 45.05 0.44 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.346 1.458 . . . . 0.0 110.517 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -84.6 63.24 7.8 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.879 -1.138 . . . . 0.0 108.142 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.25 164.97 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.363 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.9 111.11 1.66 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -107.68 148.07 29.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.81 0.805 . . . . 0.0 110.402 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -88.1 -13.92 40.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.607 1.163 . . . . 0.0 112.649 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 p -149.15 152.57 36.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.989 0.813 . . . . 0.0 110.593 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.8 tp -58.43 -37.38 75.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -46.34 88.91 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.017 -0.427 . . . . 0.0 110.35 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -57.41 -47.57 81.37 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.14 -39.41 78.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.921 0.391 . . . . 0.0 110.647 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.3 m -60.06 -52.0 67.24 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.554 -0.716 . . . . 0.0 109.307 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 ptt-85 -64.19 -37.54 87.82 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.337 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -55.23 -43.28 74.4 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.376 -0.827 . . . . 0.0 109.427 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -56.8 -18.11 11.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.0 -35.86 71.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.662 1.119 . . . . 0.0 109.051 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 p -65.9 -33.57 76.14 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.339 0.256 . . . . 0.0 111.245 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -78.07 -49.71 13.44 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.903 0.881 . . . . 0.0 109.533 -177.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -69.52 -27.22 64.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.92 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.89 20.99 62.18 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.563 1.078 . . . . 0.0 110.513 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.25 47.67 0.93 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.285 1.04 . . . . 0.0 112.5 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -81.74 66.53 7.35 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -106.62 2.23 25.82 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -170.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -75.49 85.66 2.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 119.101 0.864 . . . . 0.0 109.377 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -78.76 120.84 23.99 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 127.003 2.121 . . . . 0.0 110.137 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.69 114.35 3.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -75.02 74.02 2.21 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 t -145.07 116.3 7.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.61 128.4 15.04 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.095 0.958 . . . . 0.0 111.006 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.02 -53.44 4.37 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.57 51.12 0.87 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.575 1.15 . . . . 0.0 110.067 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.66 53.22 2.3 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.003 -1.061 . . . . 0.0 109.511 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.84 128.36 36.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.5 0.72 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -94.42 129.68 41.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.299 1.04 . . . . 0.0 109.379 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -115.65 164.27 14.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.636 0.774 . . . . 0.0 111.585 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 p -69.12 -58.99 3.34 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.943 1.697 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.0 p -115.85 145.57 42.75 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.993 0.917 . . . . 0.0 110.057 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -44.93 -52.79 8.34 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.095 0.958 . . . . 0.0 110.819 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.83 -28.84 64.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.81 -44.21 77.81 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -61.66 -41.08 97.05 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.572 0.749 . . . . 0.0 109.669 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.63 -55.99 27.57 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.84 0.746 . . . . 0.0 109.143 176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -50.75 -52.31 41.88 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.457 0.703 . . . . 0.0 109.635 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -55.07 -55.04 35.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.678 0.217 . . . . 0.0 111.242 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -54.12 -44.97 71.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.575 0.703 . . . . 0.0 110.192 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.99 -63.71 1.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -48.78 -45.74 40.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.819 2.448 . . . . 0.0 113.504 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.24 -23.97 15.91 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.157 1.539 . . . . 0.0 115.157 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.19 -48.41 1.2 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.979 1.263 . . . . 0.0 113.781 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -42.03 61.95 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 119.031 0.832 . . . . 0.0 112.04 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.93 -32.72 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 118.703 0.683 . . . . 0.0 109.181 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.194 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.545 0 O4'-C1'-N19 110.454 3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.206 0 P-O3'-C3' 122.808 2.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.276 3.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 P-O3'-C3' 123.11 2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.477 1 O4'-C1'-N19 112.046 5.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.311 4.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 0 N19-C1'-C2' 108.047 -3.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.502 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 1 O4'-C1'-N19 111.911 5.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 P-O3'-C3' 123.256 2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 1 O4'-C1'-N19 112.11 5.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 0 P-O3'-C3' 122.829 2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 O4'-C1'-N19 110.745 3.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.333 0 P-O3'-C3' 122.846 2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-N19 110.427 3.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 1 O4'-C1'-N19 111.295 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 0 C3'-C2'-C1' 99.418 -2.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 P-O3'-C3' 122.507 2.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C1'-C2' 102.206 -3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.809 1 O4'-C1'-N19 113.37 6.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 109.788 2.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.967 1 O4'-C1'-N19 112.892 6.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 1 O4'-C1'-N19 112.956 6.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C4'-C3' 108.133 2.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 0 O4'-C1'-C2' 102.802 -2.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.922 0 O4'-C1'-N19 110.275 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.752 0 O4'-C1'-C2' 102.689 -3.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.906 1 O4'-C1'-N19 111.419 4.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C4'-C3' 108.154 2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.663 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -78.72 140.44 38.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -132.56 142.42 49.15 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -79.83 129.88 34.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 mt -105.75 132.46 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 111.071 -176.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.0 t -57.38 130.94 48.51 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 110.735 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 p -69.72 -68.67 0.4 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.824 1.65 . . . . 0.0 112.674 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -19.23 102.6 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 128.168 2.587 . . . . 0.0 114.802 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.33 36.64 2.39 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.036 1.334 . . . . 0.0 113.279 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 58.93 38.9 24.26 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.578 1.151 . . . . 0.0 111.572 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -42.56 -40.28 2.61 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.292 1.437 . . . . 0.0 112.055 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.45 10.71 86.08 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 113.901 0.32 . . . . 0.0 113.901 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.6 103.79 6.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.6 136.77 44.57 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.11 0.964 . . . . 0.0 111.552 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.06 152.58 46.3 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.329 0.652 . . . . 0.0 110.988 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -78.56 -46.91 18.34 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.273 1.029 . . . . 0.0 111.575 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -88.35 136.91 32.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 121.937 -0.477 . . . . 0.0 110.328 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.86 -46.54 84.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.583 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.1 p-90 -55.17 -38.8 68.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.658 0.783 . . . . 0.0 111.384 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -64.76 -47.64 77.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.78 -40.36 92.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.117 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -58.21 -47.25 84.05 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 119.59 1.086 . . . . 0.0 109.927 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.66 77.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -60.01 -55.74 30.3 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.811 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.09 -33.01 50.26 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.864 0.866 . . . . 0.0 111.68 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 p -55.44 -30.03 59.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.058 0.845 . . . . 0.0 111.25 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -36.71 78.14 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.87 0.468 . . . . 0.0 110.882 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -90.63 -50.33 5.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.365 0.666 . . . . 0.0 111.076 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -79.39 -33.83 42.4 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.51 88.08 Favored Glycine 0 CA--C 1.537 1.437 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -171.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.86 139.7 37.05 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.957 1.378 . . . . 0.0 110.658 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -129.7 82.68 66.47 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 124.483 1.113 . . . . 0.0 108.079 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.22 -22.45 11.29 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.699 4.266 . . . . 0.0 118.484 -174.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.53 79.26 0.98 Allowed Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 119.247 0.931 . . . . 0.0 110.362 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.95 155.68 52.85 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.562 1.508 . . . . 0.0 108.954 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -81.85 147.98 29.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.24 142.69 34.38 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.725 0.693 . . . . 0.0 110.364 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.03 134.76 56.64 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -59.17 3.88 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.93 61.76 2.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.557 1.143 . . . . 0.0 108.836 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -83.08 -27.46 30.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.009 1.324 . . . . 0.0 109.908 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 43.82 -134.01 0.59 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.887 1.675 . . . . 0.0 111.701 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.46 99.69 0.14 Allowed Glycine 0 CA--C 1.521 0.437 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -111.76 155.57 23.3 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.728 0.764 . . . . 0.0 109.589 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -103.42 -2.89 26.22 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.841 0.856 . . . . 0.0 113.303 -176.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -155.49 155.35 33.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.104 0.865 . . . . 0.0 111.158 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.0 -42.07 93.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.064 176.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -57.98 -50.4 73.53 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -43.84 97.27 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.68 -45.02 93.34 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.968 0.507 . . . . 0.0 109.89 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 50.7 m -60.13 -48.8 80.2 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -57.33 -47.6 81.12 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -55.79 -45.69 78.14 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.143 -0.973 . . . . 0.0 110.03 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -57.67 -17.51 15.32 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.36 -35.35 67.56 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.348 0.976 . . . . 0.0 109.233 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.0 p -64.55 -35.55 81.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.851 0.46 . . . . 0.0 111.376 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.39 -50.09 12.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.923 0.889 . . . . 0.0 109.63 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -65.6 -25.79 67.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.379 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.91 33.19 57.91 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -79.38 47.95 0.86 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.906 0.86 . . . . 0.0 111.804 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -82.46 67.86 8.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.17 7.26 6.52 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -77.14 84.22 3.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 m -77.24 116.12 17.59 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.423 1.889 . . . . 0.0 110.335 -174.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.77 116.3 3.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 174.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.59 71.12 1.86 Allowed 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.892 0.477 . . . . 0.0 110.467 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -149.01 116.67 6.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.77 138.67 18.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 110.26 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.27 -59.82 4.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.41 47.77 0.72 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.892 0.877 . . . . 0.0 110.177 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -82.63 54.37 2.63 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -73.0 124.84 26.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.782 0.833 . . . . 0.0 109.447 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -93.82 110.09 21.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.546 1.138 . . . . 0.0 109.988 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.22 161.17 14.37 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.105 0.562 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 p -69.87 -55.37 9.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 125.308 1.443 . . . . 0.0 111.207 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 p -112.04 154.93 24.63 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.353 0.661 . . . . 0.0 109.61 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -56.27 -44.23 79.55 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.04 83.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.894 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.33 -44.4 95.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.678 1.126 . . . . 0.0 109.212 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.03 -46.84 84.65 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.015 0.526 . . . . 0.0 109.945 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.15 -50.11 75.31 Favored 'General case' 0 CA--C 1.528 0.114 0 O-C-N 121.625 -0.672 . . . . 0.0 110.161 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -55.8 -45.19 78.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.944 0.793 . . . . 0.0 109.569 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -56.54 -52.09 66.08 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -55.55 -46.43 77.11 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.968 -0.457 . . . . 0.0 110.907 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.05 -46.4 78.93 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.671 1.588 . . . . 0.0 110.267 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.34 -38.98 71.62 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -100.31 -70.57 0.73 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -75.06 -33.19 61.68 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -170.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.57 -29.73 63.8 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.65 -51.1 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 174.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.143 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.481 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.275 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 112.212 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 1 O4'-C1'-N19 111.913 5.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.449 3.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 P-O3'-C3' 122.637 2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.937 0 P-O3'-C3' 122.89 2.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.598 1 O4'-C1'-N19 112.599 5.999 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 0 P-O3'-C3' 122.857 2.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 1 O4'-C1'-N19 111.863 5.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.425 0 O4'-C1'-N19 110.02 2.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C1'-N19 110.827 3.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.893 1 O4'-C1'-N19 111.356 4.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.782 1 O4'-C1'-N19 111.65 4.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 0 P-O3'-C3' 123.14 2.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 101.829 -3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.826 1 O4'-C1'-N19 113.186 6.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.723 4.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.661 1 O4'-C1'-N19 113.786 7.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C4'-C3' 108.398 2.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.611 0 P-O3'-C3' 122.825 2.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 1 O4'-C1'-N19 112.428 5.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 O4'-C1'-C2' 102.742 -3.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 1 O4'-C1'-N19 111.646 4.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 0 O4'-C4'-C3' 108.201 2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.556 0 O4'-C1'-N19 110.215 3.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -67.24 150.48 49.02 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -176.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.87 141.78 47.46 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.084 1.354 . . . . 0.0 109.529 177.802 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -81.85 136.72 35.34 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 169.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -109.79 142.69 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.571 0.748 . . . . 0.0 109.927 -176.133 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.18 118.11 8.12 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.379 1.072 . . . . 0.0 109.797 178.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.19 -40.51 3.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.724 2.009 . . . . 0.0 112.769 -179.291 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -75.29 65.37 1.61 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.708 1.203 . . . . 0.0 109.01 178.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.26 -60.52 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 128.964 2.906 . . . . 0.0 115.13 -176.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.63 -38.17 2.91 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.773 1.629 . . . . 0.0 112.914 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -55.7 -35.47 66.11 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.51 23.44 62.68 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.016 0.817 . . . . 0.0 113.904 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.25 140.92 29.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.151 0.976 . . . . 0.0 109.008 178.269 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.5 144.65 20.83 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -151.61 145.45 25.11 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.395 0.543 . . . . 0.0 109.795 179.06 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.05 -56.28 8.21 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 122.693 1.235 . . . . 0.0 112.224 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.12 79.43 1.75 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.206 -174.089 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -11.91 -60.35 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 129.929 3.292 . . . . 0.0 115.283 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 33.5 p-90 -44.14 -39.39 4.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.923 1.289 . . . . 0.0 112.563 -179.455 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.08 -40.06 94.09 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.75 1.22 . . . . 0.0 110.198 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.13 -41.68 63.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.876 0.87 . . . . 0.0 108.837 177.493 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -54.66 -50.21 68.75 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.51 64.91 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.877 -0.582 . . . . 0.0 109.63 177.141 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -46.25 -49.87 16.71 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.834 0.743 . . . . 0.0 111.257 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -53.15 -26.37 16.75 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -54.79 -33.31 61.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.301 0.955 . . . . 0.0 110.909 177.429 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -52.69 -45.59 66.91 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.662 0.785 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.34 -46.84 7.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.704 0.802 . . . . 0.0 112.041 -175.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.4 p -83.56 -27.88 28.97 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -173.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.9 10.2 83.7 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -172.438 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.94 158.88 29.17 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.658 1.229 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -133.02 76.45 70.09 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.258 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -44.81 -27.55 2.48 Favored 'Trans proline' 0 CA--C 1.532 0.414 1 C-N-CA 126.449 4.766 . . . . 0.0 118.922 -174.303 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.76 86.71 5.99 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.541 1.064 . . . . 0.0 111.432 -175.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -70.71 146.06 53.33 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.494 2.129 . . . . 0.0 110.82 178.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.37 -18.39 42.22 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.049 0.94 . . . . 0.0 112.102 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt 67.82 -44.84 0.49 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.703 2.001 . . . . 0.0 115.755 176.697 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -40.49 134.41 1.74 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.813 1.245 . . . . 0.0 113.222 -176.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -56.26 133.44 52.57 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.31 -62.38 3.42 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.06 46.25 0.58 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.841 1.256 . . . . 0.0 110.156 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -84.29 59.76 5.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -67.25 167.43 12.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.67 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.71 113.71 1.74 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 106.124 -2.79 . . . . 0.0 106.124 175.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.04 144.86 30.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.686 0.794 . . . . 0.0 109.729 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -81.9 -20.78 38.08 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.689 0.795 . . . . 0.0 112.448 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 p -141.65 155.48 45.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.917 0.78 . . . . 0.0 110.864 178.301 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.47 -41.99 91.03 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.592 175.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.56 89.47 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 122.005 -0.434 . . . . 0.0 110.746 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -58.99 -48.27 82.19 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.19 -42.93 87.2 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.215 0.531 . . . . 0.0 110.187 177.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.0 m -57.07 -53.33 59.28 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -65.32 -36.82 85.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.386 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.8 -42.07 71.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.045 0.839 . . . . 0.0 109.559 176.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m -54.94 -19.91 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.6 -35.87 73.11 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.024 -1.047 . . . . 0.0 109.622 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.1 p -65.2 -32.56 74.3 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.813 0.279 . . . . 0.0 110.937 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -79.58 -52.24 8.26 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 124.004 0.922 . . . . 0.0 110.023 -178.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -66.65 -30.43 70.69 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.42 20.77 63.58 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.36 0.981 . . . . 0.0 111.431 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -78.78 52.74 1.26 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.23 1.015 . . . . 0.0 111.717 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -79.61 63.69 4.27 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.044 2.137 . . . . 0.0 105.947 177.093 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -98.6 -9.36 24.91 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -74.13 93.85 2.35 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -175.225 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -90.46 127.42 36.21 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.41 1.884 . . . . 0.0 110.898 -175.326 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.09 114.27 3.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.343 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.15 74.07 1.76 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 t -148.32 113.22 5.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.3 132.63 24.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.695 0.798 . . . . 0.0 110.796 -177.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.66 -57.03 4.93 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 -177.596 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.87 44.94 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.543 1.137 . . . . 0.0 110.1 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.43 53.11 2.4 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 120.936 -1.103 . . . . 0.0 109.578 -179.437 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 138.85 52.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -100.52 143.75 30.33 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.88 0.872 . . . . 0.0 108.896 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -131.77 158.84 40.17 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.147 0.579 . . . . 0.0 111.296 -178.112 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -57.39 9.15 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.687 1.595 . . . . 0.0 112.694 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.0 p -118.65 157.53 27.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.198 0.908 . . . . 0.0 109.108 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -52.3 -43.05 64.27 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.49 -27.31 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.578 -0.701 . . . . 0.0 112.614 -178.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -64.53 -48.3 75.6 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 ttp -56.48 -48.32 77.36 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.581 0.752 . . . . 0.0 109.291 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -57.91 -52.13 66.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.984 0.514 . . . . 0.0 110.065 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -51.84 -54.64 26.65 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 118.844 0.747 . . . . 0.0 109.656 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -54.8 -54.39 42.85 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.889 0.313 . . . . 0.0 110.583 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -53.96 -45.18 71.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.504 0.668 . . . . 0.0 109.673 -177.253 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -60.02 -62.43 1.87 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.39 0.614 . . . . 0.0 109.467 178.021 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.64 -45.07 18.93 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.1 2.16 . . . . 0.0 112.426 -179.046 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -96.15 -25.97 15.65 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.301 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -123.6 -24.12 4.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.832 1.196 . . . . 0.0 113.859 -172.554 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -90.5 -65.02 1.05 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.068 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.8 pt -92.63 -8.3 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.321 0.648 . . . . 0.0 112.693 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.4 mptt . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 123.861 0.864 . . . . 0.0 110.165 -179.208 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 O4'-C1'-N19 110.212 3.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 P-O3'-C3' 122.843 2.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.315 4.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 0 P-O3'-C3' 123.452 3.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.67 1 O4'-C1'-N19 112.15 5.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.195 2.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.064 0 O4'-C1'-N19 110.613 3.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 109.868 2.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 2 O4'-C1'-C2' 101.238 -4.42 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-C2' 102.854 -2.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.384 1 O4'-C1'-N19 111.071 4.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 109.738 2.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 1 O4'-C1'-N19 111.923 5.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.461 0 P-O3'-C3' 122.728 2.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.036 0 O4'-C1'-C2' 102.784 -3.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.667 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 0 O4'-C4'-C3' 108.224 2.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.819 1 O4'-C1'-N19 112.033 5.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.693 0 P-O3'-C3' 123.043 2.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.898 1 O4'-C1'-N19 111.665 4.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.655 1 O4'-C1'-N19 114.31 8.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C4'-C3' 108.239 2.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.554 0 P-O3'-C3' 122.985 2.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.876 1 O4'-C1'-N19 111.831 5.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.552 0 P-O3'-C3' 122.72 2.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.94 1 O4'-C1'-N19 111.84 5.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.801 0 O4'-C4'-C3' 108.019 2.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.776 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -78.6 92.38 4.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 179.203 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -62.16 109.36 1.28 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.357 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -73.51 130.65 40.53 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 178.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mt -94.17 145.58 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.245 1.418 . . . . 0.0 111.485 -174.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -56.16 128.52 35.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.441 1.897 . . . . 0.0 110.312 176.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.91 -44.28 4.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.536 1.934 . . . . 0.0 112.248 -179.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -76.57 64.46 2.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.299 1.04 . . . . 0.0 108.9 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.07 -61.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 128.987 2.915 . . . . 0.0 115.295 -176.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -42.44 -38.11 1.8 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.0 1.72 . . . . 0.0 113.006 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -52.34 -37.03 55.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.26 1.424 . . . . 0.0 112.197 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.0 13.15 56.93 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 123.808 0.718 . . . . 0.0 114.62 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.43 136.71 36.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.569 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.79 140.21 24.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.735 -1.126 . . . . 0.0 108.686 -178.319 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -144.01 -16.99 0.59 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 -173.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.32 -49.47 0.67 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.829 1.649 . . . . 0.0 113.462 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -75.03 110.4 9.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.79 -52.96 10.35 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.357 0.663 . . . . 0.0 111.848 -177.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -53.31 -42.08 66.3 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.354 0.525 . . . . 0.0 111.4 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -46.77 70.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.047 0.939 . . . . 0.0 109.569 -176.857 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -46.43 80.8 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 109.847 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.59 -45.68 84.97 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.736 0.814 . . . . 0.0 109.377 176.6 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -53.52 56.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -48.84 -53.08 20.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.711 0.687 . . . . 0.0 110.271 175.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -55.06 -21.25 11.85 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.205 -0.902 . . . . 0.0 113.138 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -55.04 -35.67 64.72 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.184 1.357 . . . . 0.0 110.949 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -62.22 -37.11 84.13 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.471 0.578 . . . . 0.0 112.24 178.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -84.96 -46.66 11.02 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.846 0.355 . . . . 0.0 111.455 -178.439 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.0 p -87.82 -28.9 21.35 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -172.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 8.42 87.84 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -172.67 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -78.1 148.67 34.1 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.777 1.289 . . . . 0.0 111.32 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -134.37 76.77 61.56 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.125 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -48.22 -25.75 7.31 Favored 'Trans proline' 0 N--CA 1.459 -0.502 1 C-N-CA 125.328 4.019 . . . . 0.0 118.762 -173.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -114.46 81.18 6.59 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 119.47 1.032 . . . . 0.0 111.722 -174.787 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.07 148.59 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.147 1.898 . . . . 0.0 110.941 178.362 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 -25.51 37.92 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.205 0.602 . . . . 0.0 110.692 178.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.08 -39.71 0.4 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.61 1.964 . . . . 0.0 115.532 176.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -42.06 136.64 2.09 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.972 1.309 . . . . 0.0 112.632 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -52.42 132.66 34.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.062 0.945 . . . . 0.0 109.281 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.2 -62.93 3.33 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -78.41 49.09 0.82 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.905 0.882 . . . . 0.0 110.897 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -82.65 60.7 5.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -69.01 163.91 23.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.589 0.756 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 104.32 0.72 Allowed Glycine 0 C--N 1.335 0.513 0 N-CA-C 107.354 -2.299 . . . . 0.0 107.354 175.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.94 149.23 23.17 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 118.524 1.162 . . . . 0.0 109.628 178.377 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -89.22 -7.71 54.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.091 0.956 . . . . 0.0 112.867 -178.17 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.2 p -152.19 150.84 30.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.268 0.94 . . . . 0.0 110.846 176.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.83 -39.13 76.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -47.29 84.62 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.162 -0.336 . . . . 0.0 110.233 179.654 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -58.05 -46.61 85.1 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.75 -42.2 75.07 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.823 0.344 . . . . 0.0 110.16 177.787 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 m -58.4 -53.19 61.07 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.98 0.512 . . . . 0.0 109.897 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.587 -1.245 . . . . 0.0 110.923 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.32 -42.28 73.55 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.499 -0.751 . . . . 0.0 109.971 176.346 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 m -55.34 -19.5 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.17 -35.22 69.29 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.923 0.783 . . . . 0.0 109.44 174.355 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -67.07 -35.19 79.29 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.896 0.478 . . . . 0.0 111.693 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -76.77 -47.59 21.23 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 p -66.93 -26.28 66.77 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.761 178.446 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.05 25.81 56.9 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 -177.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.03 49.2 1.2 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.867 0.867 . . . . 0.0 111.552 -178.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -81.46 69.69 8.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -118.69 6.17 11.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -169.759 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -77.03 82.03 3.55 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 119.661 1.118 . . . . 0.0 108.557 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -77.66 117.01 18.66 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 126.278 1.831 . . . . 0.0 110.652 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.39 114.09 2.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.74 70.73 1.9 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.946 0.498 . . . . 0.0 110.375 -177.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 t -146.62 117.33 7.59 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.298 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.84 138.49 18.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.257 0.623 . . . . 0.0 110.201 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.07 -59.95 4.49 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -177.441 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.43 49.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.578 0.751 . . . . 0.0 110.263 177.672 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.57 53.6 2.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.101 -0.999 . . . . 0.0 109.051 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.0 mt -71.16 125.71 27.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.624 0.77 . . . . 0.0 109.321 -178.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -92.83 114.41 26.96 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.806 1.243 . . . . 0.0 109.487 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -100.81 162.45 12.9 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.613 0.765 . . . . 0.0 110.887 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 p -76.0 -30.51 58.55 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.236 1.415 . . . . 0.0 112.668 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 p -141.26 156.37 45.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.135 0.879 . . . . 0.0 109.578 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.16 -43.35 87.39 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.445 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.87 88.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.654 -0.653 . . . . 0.0 111.414 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.7 -46.16 89.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.199 0.909 . . . . 0.0 109.699 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 ttp -56.12 -46.08 79.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.909 0.484 . . . . 0.0 110.379 176.656 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.54 -46.39 86.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.316 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -55.87 -48.51 75.42 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 119.767 1.167 . . . . 0.0 108.991 176.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -53.92 -53.05 58.04 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.45 -49.04 68.24 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.07 -0.394 . . . . 0.0 110.904 -179.324 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -55.94 -45.06 78.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.775 1.63 . . . . 0.0 110.532 177.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.9 -27.62 61.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.559 1.143 . . . . 0.0 112.824 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -114.14 -68.61 0.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -173.501 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -76.72 -27.9 55.63 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.656 -0.652 . . . . 0.0 112.531 -170.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -34.98 68.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.249 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 pt -79.64 -45.5 23.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.064 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 176.676 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mt -90.7 143.61 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.592 0.757 . . . . 0.0 111.683 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -61.57 124.59 21.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.576 1.551 . . . . 0.0 110.332 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -42.77 -43.09 3.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.928 2.091 . . . . 0.0 112.828 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -75.71 63.23 1.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.277 1.031 . . . . 0.0 109.571 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.92 -65.29 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.153 2.981 . . . . 0.0 115.561 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.25 -37.25 2.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.964 1.705 . . . . 0.0 113.104 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.9 t -53.39 -35.89 60.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.316 1.446 . . . . 0.0 111.991 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.2 58.85 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.07 0.843 . . . . 0.0 114.739 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 142.74 31.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.599 1.2 . . . . 0.0 108.464 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.14 139.06 17.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.164 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -151.08 135.86 17.25 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -31.9 66.07 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.114 -0.991 . . . . 0.0 110.722 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -76.75 119.02 19.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -53.76 -48.35 69.81 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.126 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -52.39 -44.64 65.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.948 0.899 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -50.58 73.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.55 -35.9 79.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.861 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.41 -49.53 75.14 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 119.534 1.061 . . . . 0.0 109.102 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.22 74.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.617 0.367 . . . . 0.0 110.76 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -63.55 -60.34 3.47 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.839 -0.538 . . . . 0.0 109.823 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.56 -34.82 38.42 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.503 1.121 . . . . 0.0 112.274 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -52.73 -32.92 45.61 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.865 0.757 . . . . 0.0 111.321 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.42 -35.55 77.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.641 0.376 . . . . 0.0 111.601 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.13 -50.06 6.21 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.189 0.596 . . . . 0.0 110.955 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -82.1 -30.82 31.03 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.035 1.334 . . . . 0.0 114.517 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.48 7.99 87.09 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.38 144.4 35.98 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.927 1.363 . . . . 0.0 110.641 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -134.1 77.39 61.7 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 124.573 1.149 . . . . 0.0 108.57 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -47.86 -26.08 6.8 Favored 'Trans proline' 0 CA--C 1.533 0.459 1 C-N-CA 125.71 4.274 . . . . 0.0 119.23 -174.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -112.36 78.8 2.7 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 119.909 1.232 . . . . 0.0 111.68 -175.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -75.79 150.82 35.36 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.434 2.089 . . . . 0.0 111.978 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.23 -21.38 50.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.225 1.01 . . . . 0.0 111.309 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt 70.29 -47.0 0.62 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.642 1.977 . . . . 0.0 114.086 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -40.01 133.78 1.62 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.489 1.515 . . . . 0.0 113.158 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -55.63 138.16 47.7 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.715 0.806 . . . . 0.0 108.887 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.89 -65.86 2.87 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.94 50.45 1.02 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.63 0.715 . . . . 0.0 110.593 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.07 59.77 4.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -69.43 158.4 35.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.579 0.751 . . . . 0.0 109.4 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 98.74 0.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -88.73 143.47 26.9 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 p -90.4 -2.42 57.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.653 -0.654 . . . . 0.0 111.834 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -154.94 150.3 27.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 122.014 -0.429 . . . . 0.0 110.059 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 58' ' ' HIS . 2.5 tm? -74.12 164.34 26.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.592 ' N ' HD13 ' A' ' 57' ' ' LEU 0.32 1.7 t60 74.48 -40.41 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.772 1.629 . . . . 0.0 112.427 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -59.41 -36.28 75.56 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 169.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.83 -43.7 98.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.364 1.066 . . . . 0.0 109.327 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -63.36 -48.03 79.63 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.116 -0.99 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -61.7 -40.15 93.99 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.373 0.988 . . . . 0.0 108.879 176.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -43.59 77.07 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.673 0.67 . . . . 0.0 109.208 173.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.0 m -54.57 -20.85 8.75 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.44 -34.55 69.08 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.119 0.872 . . . . 0.0 109.514 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.5 p -68.42 -33.87 74.98 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.304 0.641 . . . . 0.0 111.857 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -76.62 -47.55 21.95 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.9 p -69.08 -25.53 64.48 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.311 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.84 27.19 59.09 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -79.79 62.21 3.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.516 0.727 . . . . 0.0 111.949 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -75.91 117.21 17.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -145.97 -18.39 0.45 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -171.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.45 88.88 2.65 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.573 1.079 . . . . 0.0 109.006 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.6 m -77.87 118.91 20.65 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.485 1.914 . . . . 0.0 110.893 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.87 117.25 4.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.59 74.98 2.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t -149.86 113.32 4.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.54 131.78 25.17 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.709 0.804 . . . . 0.0 110.915 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.51 -56.21 4.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.69 44.26 0.44 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.02 1.328 . . . . 0.0 109.907 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.54 52.85 2.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 120.866 -1.146 . . . . 0.0 109.566 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.81 131.68 44.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -97.08 123.65 40.88 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.742 1.217 . . . . 0.0 109.149 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -109.64 161.07 15.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 0.0 111.391 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -71.98 -36.35 69.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.301 1.44 . . . . 0.0 112.718 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.6 p -135.72 158.05 45.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.529 0.604 . . . . 0.0 110.247 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -56.56 -44.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.71 97.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.83 -0.544 . . . . 0.0 111.208 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -61.41 -44.25 97.45 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.305 0.957 . . . . 0.0 109.443 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.23 -48.06 74.47 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -59.27 -51.23 70.84 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.571 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -51.09 -52.35 44.42 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 119.432 1.015 . . . . 0.0 109.413 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -56.05 -54.23 47.51 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.873 0.306 . . . . 0.0 110.18 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.06 -43.42 63.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.558 0.694 . . . . 0.0 110.426 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -65.0 -64.8 0.78 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.629 0.772 . . . . 0.0 109.093 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -45.68 -38.77 7.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.084 2.154 . . . . 0.0 113.235 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -102.74 -19.41 14.75 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -134.08 -64.48 0.69 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 120.237 1.38 . . . . 0.0 109.918 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.34 0.155 0 CA-C-O 121.466 0.651 . . . . 0.0 110.893 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.17 142.4 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.923 0.889 . . . . 0.0 109.872 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.83 123.19 17.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.636 1.174 . . . . 0.0 109.227 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 p -52.09 -36.78 51.93 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.608 1.563 . . . . 0.0 112.609 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.95 65.3 1.41 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.98 . . . . 0.0 109.701 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.72 -65.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.305 3.042 . . . . 0.0 115.283 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.64 -38.22 2.96 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.84 1.656 . . . . 0.0 113.012 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 t -56.99 -34.86 68.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.122 1.369 . . . . 0.0 112.068 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.04 29.52 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.558 1.075 . . . . 0.0 114.35 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.89 144.3 25.83 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.134 0.967 . . . . 0.0 109.042 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.58 144.96 20.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -151.12 152.77 33.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -82.48 -40.04 21.65 Favored 'General case' 0 C--O 1.227 -0.094 0 O-C-N 121.902 -0.499 . . . . 0.0 112.038 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -73.89 118.48 16.9 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.67 -54.38 9.7 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.432 1.093 . . . . 0.0 110.592 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 p-90 -52.08 -40.34 61.07 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.895 0.878 . . . . 0.0 110.93 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -69.25 -48.71 61.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.929 -0.482 . . . . 0.0 109.744 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.41 -37.52 81.12 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.099 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -59.65 -47.9 83.8 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.875 1.216 . . . . 0.0 109.545 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.29 66.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.127 0.571 . . . . 0.0 110.345 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -67.71 -56.39 9.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.4 mt -48.0 -36.96 13.67 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 112.056 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 p -50.56 -34.07 24.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.049 0.386 . . . . 0.0 112.038 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -51.96 -43.16 63.39 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.793 0.837 . . . . 0.0 110.888 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -92.35 -49.33 6.21 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.873 0.869 . . . . 0.0 111.801 -177.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -81.76 -28.02 33.48 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.12 10.59 86.17 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -77.43 129.4 35.71 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.91 1.355 . . . . 0.0 109.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -128.22 82.21 68.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -48.34 -25.56 7.37 Favored 'Trans proline' 0 C--N 1.347 0.489 1 C-N-CA 125.525 4.15 . . . . 0.0 118.125 -174.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.59 81.57 3.31 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 119.162 0.892 . . . . 0.0 111.092 -176.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.59 154.04 39.49 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.755 2.303 . . . . 0.0 110.504 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.46 -24.36 34.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.927 0.891 . . . . 0.0 111.178 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? 68.18 -35.36 0.28 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.44 1.896 . . . . 0.0 115.813 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -45.85 137.92 5.24 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.918 0.887 . . . . 0.0 112.216 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -57.09 132.98 54.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -62.83 3.31 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.5 t -78.05 47.67 0.67 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.424 1.09 . . . . 0.0 110.353 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.2 60.88 6.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.4 162.45 22.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.84 110.99 1.38 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 107.609 -2.197 . . . . 0.0 107.609 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -112.46 152.83 28.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.672 0.789 . . . . 0.0 109.544 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -88.35 -17.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -142.55 158.85 43.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.45 -34.84 77.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -45.9 65.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.866 0.867 . . . . 0.0 108.792 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -58.48 -46.43 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.11 -41.3 87.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.438 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.2 m -60.36 -51.62 68.75 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.399 -0.813 . . . . 0.0 110.724 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -56.34 -37.2 69.66 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.029 0.832 . . . . 0.0 110.848 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -64.72 -48.8 73.31 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.985 -0.447 . . . . 0.0 110.238 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -51.52 -30.43 20.37 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.162 0.985 . . . . 0.0 112.259 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -49.64 -32.93 14.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.256 0.48 . . . . 0.0 111.636 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.2 p -64.34 -30.72 71.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.596 0.358 . . . . 0.0 111.503 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.81 -48.53 14.6 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.165 0.986 . . . . 0.0 109.515 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -71.83 -24.97 61.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.051 0.54 . . . . 0.0 110.907 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 35.77 41.01 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.0 51.35 1.13 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.821 0.819 . . . . 0.0 111.537 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -81.03 62.53 5.04 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.953 1.701 . . . . 0.0 107.506 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -118.46 3.66 11.82 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -76.13 87.16 3.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.923 1.238 . . . . 0.0 108.22 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.5 m -77.35 118.14 19.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.489 1.916 . . . . 0.0 111.161 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -60.89 117.42 5.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.53 74.29 1.96 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -149.26 112.77 5.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.03 131.3 22.99 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.82 0.848 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.33 -55.76 4.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.1 t -77.72 44.99 0.48 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.911 1.284 . . . . 0.0 109.926 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -83.84 52.28 2.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 120.813 -1.179 . . . . 0.0 109.593 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.26 134.11 49.88 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -103.28 112.59 25.53 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 124.152 0.981 . . . . 0.0 109.033 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -96.33 161.95 13.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.939 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -50.68 28.1 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 126.238 1.815 . . . . 0.0 111.687 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.1 p -117.91 155.66 29.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.707 0.685 . . . . 0.0 109.765 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.49 -40.8 79.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.13 93.13 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.761 -0.587 . . . . 0.0 111.123 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.28 -44.76 96.69 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.084 0.856 . . . . 0.0 108.701 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.9 ttp -55.71 -50.95 68.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -58.47 -48.48 80.63 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 123.109 0.564 . . . . 0.0 111.016 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -53.88 -52.78 59.39 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 119.103 0.865 . . . . 0.0 109.365 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -55.42 -54.68 40.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.566 0.222 . . . . 0.0 110.425 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -53.53 -43.4 68.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.83 0.824 . . . . 0.0 109.681 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -60.34 -61.93 2.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -48.16 -51.01 26.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.596 1.159 . . . . 0.0 112.558 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.98 -24.71 22.34 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 115.311 1.596 . . . . 0.0 115.311 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -123.87 -34.04 3.06 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.718 1.145 . . . . 0.0 113.274 -173.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 39.5 t30 . . . . . 0 N--CA 1.464 0.231 0 CA-C-N 119.557 1.071 . . . . 0.0 108.389 177.527 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -91.79 143.81 10.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.566 0.746 . . . . 0.0 111.768 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 t -63.23 122.14 15.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.221 1.808 . . . . 0.0 110.839 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.45 -33.33 13.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 126.64 1.976 . . . . 0.0 113.634 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.37 75.47 0.54 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.681 0.793 . . . . 0.0 110.423 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.21 128.94 4.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.712 1.205 . . . . 0.0 109.799 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 106.07 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 128.806 2.842 . . . . 0.0 109.136 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -58.86 -43.63 90.86 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 109.975 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.32 23.37 66.39 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.011 0.815 . . . . 0.0 114.713 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.57 149.7 26.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.54 144.19 22.58 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -146.01 149.68 34.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.389 0.541 . . . . 0.0 111.294 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -71.27 -47.71 55.31 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.118 0.967 . . . . 0.0 112.924 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.06 136.26 33.11 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.193 -0.317 . . . . 0.0 110.628 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -54.32 -47.6 72.3 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 119.317 -0.373 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.3 p-90 -55.76 -39.35 71.08 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.42 0.688 . . . . 0.0 111.204 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -66.15 -46.3 77.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.8 -41.16 95.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.981 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -58.65 -47.05 85.74 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.277 0.944 . . . . 0.0 109.788 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.41 77.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -61.67 -55.58 28.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.209 174.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -47.53 -38.52 14.24 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.163 0.985 . . . . 0.0 112.549 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 p -50.19 -33.1 18.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.62 0.645 . . . . 0.0 111.444 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -54.5 -43.18 71.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.362 0.665 . . . . 0.0 111.457 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -90.58 -51.1 5.57 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 111.308 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 p -76.7 -31.53 57.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.047 1.339 . . . . 0.0 113.84 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.95 8.63 78.5 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -171.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 147.26 33.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.789 1.294 . . . . 0.0 110.864 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -134.82 76.87 58.69 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -47.39 -24.49 4.09 Favored 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.53 4.153 . . . . 0.0 119.208 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.64 83.82 5.94 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 119.498 1.045 . . . . 0.0 111.859 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.57 152.0 33.19 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.465 2.11 . . . . 0.0 111.346 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.4 t -80.14 -16.93 53.85 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.975 0.91 . . . . 0.0 112.179 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 70.54 -50.17 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.437 1.895 . . . . 0.0 114.14 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -39.86 132.1 1.79 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.769 1.628 . . . . 0.0 113.154 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -56.71 139.51 50.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.8 -65.03 2.94 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.73 48.78 0.84 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.021 0.928 . . . . 0.0 110.108 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -82.89 60.54 5.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.61 160.22 28.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.522 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.07 108.88 1.08 Allowed Glycine 0 C--N 1.334 0.446 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -105.69 150.02 25.85 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.135 0.967 . . . . 0.0 109.635 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -88.61 -9.05 53.53 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.967 0.907 . . . . 0.0 112.664 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -150.05 148.76 29.4 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.702 0.683 . . . . 0.0 110.391 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.2 -37.0 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -49.51 76.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 122.0 -0.437 . . . . 0.0 110.479 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -62.09 -39.5 92.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.134 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.22 -40.37 81.49 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.621 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m -61.99 -49.2 77.0 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.575 -0.703 . . . . 0.0 109.825 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -59.8 -43.87 94.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.946 0.794 . . . . 0.0 109.762 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.17 -43.36 78.31 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.752 -0.592 . . . . 0.0 109.717 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -20.53 11.68 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.3 mt -56.25 -35.04 66.95 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.403 1.001 . . . . 0.0 109.634 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -68.57 -35.23 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -76.9 -47.29 21.55 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.6 p -67.96 -28.98 67.93 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.493 0.317 . . . . 0.0 110.769 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.74 30.24 48.96 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -79.51 45.95 0.71 Allowed 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.736 -0.861 . . . . 0.0 111.973 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -81.25 64.7 6.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.402 1.481 . . . . 0.0 107.982 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -115.94 7.37 14.4 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -76.13 85.05 2.98 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 119.647 1.112 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 m -77.82 122.3 25.24 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.054 2.142 . . . . 0.0 111.835 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 t -59.98 119.98 8.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 173.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.56 73.15 1.95 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 122.561 0.344 . . . . 0.0 110.177 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -152.5 116.62 4.91 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.39 138.75 26.36 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.02 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.98 -59.64 4.49 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.07 46.02 0.57 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.505 1.122 . . . . 0.0 110.113 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.12 52.1 2.11 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.928 -1.107 . . . . 0.0 109.456 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.5 128.85 37.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -100.68 119.47 38.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 108.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.07 161.92 13.26 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.948 0.899 . . . . 0.0 111.025 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 p -67.95 -50.92 53.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.032 1.333 . . . . 0.0 111.064 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 p -118.08 155.12 30.92 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.701 0.762 . . . . 0.0 110.527 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -57.98 -42.57 85.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.242 175.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.23 92.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.552 -0.718 . . . . 0.0 111.201 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.13 -46.34 88.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.313 0.96 . . . . 0.0 108.933 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.7 ttp -56.21 -48.37 76.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.87 0.468 . . . . 0.0 110.249 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -58.41 -52.31 66.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.244 0.617 . . . . 0.0 110.172 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -54.74 -45.46 74.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.752 0.705 . . . . 0.0 110.119 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -58.87 -53.63 56.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.994 -0.441 . . . . 0.0 110.001 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.71 -42.83 71.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.027 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -58.56 -64.86 0.78 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -47.99 -52.74 18.63 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.723 1.209 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -88.2 -24.98 23.14 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -124.67 -42.1 2.09 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.504 1.047 . . . . 0.0 112.933 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.352 0 CA-C-N 119.626 1.103 . . . . 0.0 110.038 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.44 HD12 ' N ' ' A' ' 14' ' ' ILE . 2.1 mp -86.81 142.03 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 123.991 0.916 . . . . 0.0 110.015 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -61.74 125.89 25.41 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.209 1.403 . . . . 0.0 111.111 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.95 -43.21 13.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.083 1.753 . . . . 0.0 112.308 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -74.97 67.64 1.71 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.3 -61.01 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.379 2.672 . . . . 0.0 115.133 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.26 -37.08 3.03 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.837 1.655 . . . . 0.0 113.219 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -54.08 -35.0 61.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.58 1.552 . . . . 0.0 111.527 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.77 57.54 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.245 0.926 . . . . 0.0 113.526 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.67 150.99 20.34 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.39 147.78 25.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -143.69 152.95 41.96 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 118.093 0.406 . . . . 0.0 111.938 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -39.33 -56.06 1.62 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 127.189 2.195 . . . . 0.0 115.919 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -125.6 160.48 29.5 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -49.11 -54.0 18.14 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.779 1.632 . . . . 0.0 110.566 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -55.14 -42.38 72.98 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.347 0.659 . . . . 0.0 110.944 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -67.71 -43.48 79.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 30' ' ' LEU . 23.4 tp -59.53 -41.11 89.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.949 177.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.02 -45.89 91.28 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.956 0.798 . . . . 0.0 109.769 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.164 -0.335 . . . . 0.0 110.433 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -63.91 -55.82 19.82 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.743 -0.598 . . . . 0.0 109.566 174.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -52.01 -30.71 26.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.539 1.136 . . . . 0.0 111.914 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 p -54.63 -31.13 56.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.36 0.982 . . . . 0.0 110.885 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -63.24 -33.29 75.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.134 0.573 . . . . 0.0 111.212 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.75 -49.66 6.51 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.657 0.783 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.8 p -88.69 -30.71 18.92 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.843 1.657 . . . . 0.0 115.323 -171.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.81 7.18 88.85 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -172.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.82 133.18 38.25 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.054 1.427 . . . . 0.0 110.639 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -130.44 81.93 66.67 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -52.28 -20.85 12.02 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 125.286 3.99 . . . . 0.0 118.722 -173.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -113.02 76.88 2.44 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 119.777 1.171 . . . . 0.0 111.561 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.33 142.49 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.028 2.486 . . . . 0.0 110.212 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.56 -17.72 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.068 1.347 . . . . 0.0 112.273 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 71.53 -44.95 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.511 1.924 . . . . 0.0 114.292 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -43.14 133.84 3.77 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.526 1.13 . . . . 0.0 112.748 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.36 134.73 56.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.1 -63.29 3.25 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.96 46.19 0.57 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.445 1.098 . . . . 0.0 110.356 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.01 60.03 5.99 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -65.62 137.67 57.5 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.23 91.82 1.11 Allowed Glycine 0 CA--C 1.52 0.348 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -90.47 156.44 18.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.841 0.821 . . . . 0.0 110.016 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -100.8 -7.9 23.19 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -148.86 156.68 42.66 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.287 0.948 . . . . 0.0 109.324 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.11 -43.31 95.7 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -61.64 -48.56 80.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.631 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -53.74 -48.04 70.05 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.1 -40.35 89.31 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.188 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -62.49 -52.71 62.41 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.469 -0.769 . . . . 0.0 110.12 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -58.82 -38.45 78.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.177 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -58.99 -49.86 76.3 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.909 -0.494 . . . . 0.0 110.793 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -24.8 27.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -52.14 -31.93 33.39 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.69 0.677 . . . . 0.0 110.888 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -65.54 -29.77 70.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.591 0.356 . . . . 0.0 111.523 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.65 -48.24 15.44 Favored 'General case' 0 CA--C 1.522 -0.129 0 C-N-CA 124.055 0.942 . . . . 0.0 109.277 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -71.74 -25.06 61.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.53 32.54 46.39 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.22 58.03 2.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.9 0.857 . . . . 0.0 111.267 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.51 77.26 5.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -121.29 -3.71 9.46 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -169.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -76.8 87.48 3.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 119.448 1.022 . . . . 0.0 108.394 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.59 117.69 19.26 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.824 2.05 . . . . 0.0 111.265 -173.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.07 116.54 4.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.72 74.56 2.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -148.89 113.52 5.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.76 132.37 26.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.63 0.772 . . . . 0.0 110.76 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.48 -56.82 4.9 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.6 t -77.87 46.13 0.55 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.5 1.12 . . . . 0.0 109.96 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.58 51.47 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 120.819 -1.176 . . . . 0.0 109.368 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.69 134.46 48.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -102.41 125.83 49.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -110.72 164.08 13.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.163 0.985 . . . . 0.0 111.296 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -68.04 -39.03 83.16 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.033 1.733 . . . . 0.0 113.038 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 p -136.74 163.41 30.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.234 0.925 . . . . 0.0 110.144 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -57.99 -38.79 76.77 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.26 85.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.736 -0.603 . . . . 0.0 111.509 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -59.89 -48.1 83.07 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.4 ttp -54.32 -49.69 69.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.373 0.669 . . . . 0.0 110.029 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -59.97 -48.33 82.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.419 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.45 -50.12 65.95 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.693 1.133 . . . . 0.0 109.677 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -56.41 -54.09 49.72 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.14 -42.63 69.74 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.998 0.904 . . . . 0.0 110.536 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -60.88 -61.67 2.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -52.9 -43.77 66.44 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.643 1.577 . . . . 0.0 113.474 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.32 -24.29 17.47 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -128.99 -46.04 1.25 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.571 1.078 . . . . 0.0 113.366 -173.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.357 0 CA-C-N 119.234 0.925 . . . . 0.0 112.131 -174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -87.36 148.28 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.362 1.465 . . . . 0.0 111.454 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -66.87 126.0 27.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.902 2.081 . . . . 0.0 110.039 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -40.01 -43.43 1.56 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 126.811 2.044 . . . . 0.0 113.356 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -75.67 62.35 1.46 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.306 1.042 . . . . 0.0 109.484 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.35 -65.89 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 129.2 3.0 . . . . 0.0 115.626 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.0 -36.67 1.64 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.072 1.749 . . . . 0.0 113.106 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -52.53 -35.57 53.71 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.672 1.589 . . . . 0.0 111.939 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 18.08 61.34 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.936 0.779 . . . . 0.0 114.758 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.06 140.16 32.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.58 148.19 27.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.422 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -143.22 -50.07 0.33 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 104.55 -41.42 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 128.338 2.655 . . . . 0.0 112.263 -177.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -75.59 116.05 15.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -47.74 -51.91 20.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.436 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -53.42 -44.38 68.72 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.341 0.656 . . . . 0.0 111.109 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.52 -48.14 73.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -177.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.67 -42.16 96.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.826 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.35 -47.37 86.36 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.84 0.746 . . . . 0.0 109.686 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -37.16 71.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.125 0.57 . . . . 0.0 110.169 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -66.7 -56.75 9.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -47.05 -39.66 13.37 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.105 0.962 . . . . 0.0 112.256 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -51.3 -32.12 23.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.487 0.585 . . . . 0.0 111.985 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -60.06 -35.58 75.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.916 0.486 . . . . 0.0 110.86 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.43 -51.15 5.42 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.063 0.945 . . . . 0.0 111.333 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.4 p -80.35 -31.56 37.93 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.049 1.74 . . . . 0.0 114.47 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.97 7.22 87.56 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 119.508 -0.607 . . . . 0.0 111.597 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.68 139.08 38.55 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.051 1.425 . . . . 0.0 110.671 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -128.4 83.46 66.08 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 124.441 1.096 . . . . 0.0 109.444 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -50.3 -27.39 17.81 Favored 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 125.638 4.225 . . . . 0.0 118.617 -175.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.03 83.12 1.24 Allowed Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 119.299 0.954 . . . . 0.0 111.325 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.69 149.73 49.24 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.374 2.049 . . . . 0.0 110.608 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.52 -18.62 47.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.492 0.717 . . . . 0.0 111.738 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.3 -43.18 0.48 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.64 1.976 . . . . 0.0 115.479 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -43.55 135.41 3.71 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.485 1.114 . . . . 0.0 112.641 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.23 137.21 57.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.19 -64.36 3.15 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.55 46.43 0.64 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.376 1.07 . . . . 0.0 110.123 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -84.43 60.3 5.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.239 -0.913 . . . . 0.0 108.678 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -68.66 167.11 15.87 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.067 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.34 114.96 2.04 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 106.823 -2.511 . . . . 0.0 106.823 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -111.61 151.51 28.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.025 0.93 . . . . 0.0 109.92 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.89 -1.92 41.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -174.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.6 p -154.47 155.69 35.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.513 1.051 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.44 -46.19 89.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -61.9 -43.67 98.36 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.389 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -46.16 80.66 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.577 0.626 . . . . 0.0 109.567 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.1 -42.31 94.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.786 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.6 m -59.08 -53.54 57.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.044 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 -57.76 -41.07 81.2 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.262 0.937 . . . . 0.0 110.281 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.2 -49.96 74.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.123 0.419 . . . . 0.0 110.589 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 p -58.03 -19.93 35.06 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.09 -32.44 68.07 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.45 -0.781 . . . . 0.0 109.644 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -65.11 -34.49 78.53 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.07 0.395 . . . . 0.0 111.149 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.6 -51.84 8.76 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.628 0.771 . . . . 0.0 109.79 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.5 p -68.06 -30.22 69.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.263 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.01 19.72 66.72 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.103 0.859 . . . . 0.0 111.527 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -78.46 55.19 1.56 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.115 0.958 . . . . 0.0 111.419 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.33 67.65 5.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.461 1.904 . . . . 0.0 106.113 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -102.63 -4.71 24.76 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -75.51 84.92 2.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 119.297 0.953 . . . . 0.0 109.337 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -79.95 123.23 27.6 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.979 2.112 . . . . 0.0 111.173 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.1 120.34 9.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -76.48 66.7 2.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.788 0.835 . . . . 0.0 110.5 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 t -145.51 116.12 7.66 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.85 139.67 26.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.882 0.473 . . . . 0.0 109.972 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.22 -60.61 4.47 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 108.788 -1.725 . . . . 0.0 108.788 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.34 48.95 0.8 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.981 0.912 . . . . 0.0 109.861 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -83.19 52.48 2.2 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.944 -1.097 . . . . 0.0 109.072 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.28 131.63 45.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -94.73 136.69 34.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.96 159.13 27.58 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.066 0.946 . . . . 0.0 110.164 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 p -72.12 -32.52 67.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.257 1.023 . . . . 0.0 112.787 -178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -137.38 158.1 45.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.925 0.784 . . . . 0.0 110.592 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -56.88 -43.97 81.82 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.266 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.94 -45.22 93.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.603 1.092 . . . . 0.0 109.214 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.1 ttp -55.2 -48.17 74.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.858 0.463 . . . . 0.0 109.801 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -60.72 -47.64 85.38 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.861 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.96 -51.33 61.84 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 119.802 1.183 . . . . 0.0 109.044 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -55.87 -54.07 49.09 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.365 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.73 -43.9 66.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.846 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -66.8 0.46 Allowed 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.271 1.028 . . . . 0.0 108.511 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -45.58 -36.49 4.73 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.331 1.852 . . . . 0.0 113.453 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -105.25 -65.56 1.04 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -175.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -78.71 -35.68 44.55 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -171.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.168 0 CA-C-N 119.392 0.996 . . . . 0.0 108.969 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.1 mt -92.68 142.92 12.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.471 0.708 . . . . 0.0 110.913 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 132.56 54.03 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.626 1.17 . . . . 0.0 110.647 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 p -55.21 -42.67 73.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.287 1.435 . . . . 0.0 111.567 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -75.28 65.2 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.206 1.002 . . . . 0.0 109.887 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.02 -63.48 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 129.227 3.011 . . . . 0.0 115.4 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.35 -38.11 2.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.866 1.666 . . . . 0.0 112.969 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -53.8 -35.99 61.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.345 1.458 . . . . 0.0 111.987 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.83 25.3 58.89 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.34 0.971 . . . . 0.0 113.792 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.36 24.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.931 0.865 . . . . 0.0 108.792 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.51 144.99 24.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.65 141.23 29.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.545 0.611 . . . . 0.0 112.332 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 0.55 0.13 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 118.117 2.636 . . . . 0.0 118.117 -174.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 150.93 29.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.109 1.322 . . . . 0.0 111.525 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -55.47 -56.47 19.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.89 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -53.59 -41.85 67.03 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.971 0.908 . . . . 0.0 110.708 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -61.49 -50.47 72.61 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.35 -38.07 85.6 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.289 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.37 -47.42 81.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 119.944 1.247 . . . . 0.0 110.003 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.76 -45.67 78.03 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -59.05 -53.87 53.55 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.352 -0.843 . . . . 0.0 110.559 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -54.2 -31.97 54.41 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.901 0.88 . . . . 0.0 111.953 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.1 p -54.24 -30.89 51.85 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.395 0.998 . . . . 0.0 110.736 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -58.88 -41.68 87.71 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.231 0.613 . . . . 0.0 111.258 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -86.0 -50.38 7.1 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.515 0.726 . . . . 0.0 111.368 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -84.28 -29.95 26.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -171.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.24 8.59 83.65 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.77 150.7 32.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.807 1.303 . . . . 0.0 111.062 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -134.99 77.4 56.37 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -48.25 -22.01 3.5 Favored 'Trans proline' 0 C--N 1.346 0.407 1 C-N-CA 125.786 4.324 . . . . 0.0 119.223 -173.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.67 79.58 2.5 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 119.592 1.087 . . . . 0.0 111.484 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -73.02 143.99 37.24 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.494 2.129 . . . . 0.0 110.342 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -77.21 -10.38 59.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.973 1.309 . . . . 0.0 113.672 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm 71.65 -53.86 0.68 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.079 1.752 . . . . 0.0 113.754 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -41.71 131.55 3.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.846 1.658 . . . . 0.0 113.391 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.19 138.82 57.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.24 -63.99 3.21 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.49 45.29 0.56 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.715 1.206 . . . . 0.0 109.597 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -84.31 59.22 5.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.226 -0.921 . . . . 0.0 108.65 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -65.91 157.49 30.5 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.88 105.48 1.0 Allowed Glycine 0 C--N 1.333 0.395 0 N-CA-C 106.706 -2.558 . . . . 0.0 106.706 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.8 148.7 24.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.977 0.888 . . . . 0.0 110.536 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 p -91.53 -10.88 39.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.411 1.084 . . . . 0.0 111.947 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.3 p -143.95 150.1 37.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.726 0.693 . . . . 0.0 111.081 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.48 -40.68 87.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -57.36 -50.89 71.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.157 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.18 -40.42 89.92 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.248 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.64 -43.12 99.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.408 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -61.73 -53.13 60.17 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.51 0.724 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -61.39 -41.02 96.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -54.7 -47.04 74.18 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.786 -0.571 . . . . 0.0 109.59 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -54.32 -25.51 24.34 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.14 -32.45 62.11 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.246 0.93 . . . . 0.0 110.311 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 p -66.46 -30.82 71.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.976 0.353 . . . . 0.0 110.994 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.06 -49.13 13.16 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.017 0.927 . . . . 0.0 109.339 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.5 p -73.06 -23.38 60.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.94 26.61 59.99 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -80.32 49.11 1.09 Allowed 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.675 -0.897 . . . . 0.0 111.92 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -79.09 62.73 3.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.657 1.983 . . . . 0.0 108.317 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -104.01 5.22 35.27 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -76.12 85.59 2.98 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 120.247 1.385 . . . . 0.0 108.843 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.7 m -78.0 124.48 28.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.659 1.984 . . . . 0.0 111.522 -173.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.4 t -65.08 118.76 9.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.66 73.54 2.01 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -150.48 110.73 4.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.31 132.52 24.44 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.794 0.838 . . . . 0.0 110.964 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.7 -56.22 4.91 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.1 t -77.85 44.59 0.47 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.072 1.349 . . . . 0.0 109.737 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -84.31 52.66 2.4 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 120.837 -1.164 . . . . 0.0 109.763 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.34 134.99 53.72 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -105.98 120.22 41.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 124.072 0.949 . . . . 0.0 108.496 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -108.25 167.18 10.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.211 1.004 . . . . 0.0 111.681 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -68.49 -46.46 69.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.535 1.534 . . . . 0.0 113.139 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 p -132.86 162.95 30.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.265 0.939 . . . . 0.0 109.962 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.55 -51.07 51.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.304 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 -30.69 70.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -62.97 -49.58 74.17 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -57.41 -42.95 83.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.85 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.32 -53.65 54.04 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.015 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -50.53 -52.2 40.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.235 0.925 . . . . 0.0 109.456 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -55.72 -55.59 30.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.563 0.22 . . . . 0.0 110.469 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -51.79 -43.53 63.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.574 0.75 . . . . 0.0 110.11 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -63.28 -61.05 2.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.666 0.786 . . . . 0.0 109.584 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -50.68 -40.96 55.06 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.496 1.119 . . . . 0.0 113.178 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -99.66 -19.87 16.59 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -134.02 -63.15 0.74 Allowed 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 119.867 1.212 . . . . 0.0 110.188 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.149 0 CA-C-N 118.667 0.667 . . . . 0.0 111.206 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.55 143.93 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.59 122.97 16.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.363 1.465 . . . . 0.0 110.444 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -45.87 -40.4 9.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 126.392 1.877 . . . . 0.0 112.842 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -75.58 63.66 1.56 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.247 1.019 . . . . 0.0 109.534 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.88 -65.8 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 129.182 2.993 . . . . 0.0 115.494 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.37 -37.38 2.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 113.094 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.2 t -54.18 -35.74 62.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.15 1.38 . . . . 0.0 112.131 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.79 25.59 61.63 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.158 0.885 . . . . 0.0 114.256 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.51 146.11 24.36 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.125 0.963 . . . . 0.0 108.477 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.24 146.88 24.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -147.75 153.07 38.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.558 0.617 . . . . 0.0 110.871 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -73.98 -48.74 28.29 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.176 0.99 . . . . 0.0 112.424 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -84.74 131.46 34.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.843 -0.536 . . . . 0.0 110.101 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.86 -45.35 70.96 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.217 -0.302 . . . . 0.0 110.82 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -56.6 -38.27 71.81 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.332 0.653 . . . . 0.0 111.596 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -63.4 -48.97 75.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.05 -38.22 85.4 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.293 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -60.14 -48.23 82.61 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 119.606 1.094 . . . . 0.0 109.602 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.89 -47.03 74.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.25 -56.93 15.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.807 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -52.36 -31.85 35.6 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.558 1.143 . . . . 0.0 112.291 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 p -53.05 -31.95 44.2 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.073 0.851 . . . . 0.0 111.134 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.17 -40.38 81.31 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.38 0.536 . . . . 0.0 111.573 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.09 -48.04 7.68 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.258 0.623 . . . . 0.0 111.341 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -83.2 -30.31 27.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.38 83.92 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -172.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -79.09 144.36 34.65 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.797 1.298 . . . . 0.0 110.917 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -132.53 78.07 68.28 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -49.29 -24.05 7.84 Favored 'Trans proline' 0 C--N 1.346 0.413 1 C-N-CA 125.322 4.015 . . . . 0.0 118.56 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.31 79.61 3.98 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 119.595 1.089 . . . . 0.0 111.174 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.91 149.17 36.74 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.15 1.9 . . . . 0.0 110.505 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.5 t -82.42 127.12 32.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -77.38 -7.16 55.65 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -172.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -65.1 120.39 12.57 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.888 0.767 . . . . 0.0 110.314 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.11 69.97 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.199 1.4 . . . . 0.0 111.043 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 162.15 -61.5 0.28 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.3 -2.72 . . . . 0.0 106.3 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.9 t -79.62 56.34 2.2 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -80.98 62.33 4.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.855 0.862 . . . . 0.0 109.681 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -68.31 161.82 26.52 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.05 103.96 0.8 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -103.13 148.59 25.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.286 1.043 . . . . 0.0 109.13 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 p -90.91 -5.81 54.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.561 0.745 . . . . 0.0 112.425 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -150.58 144.2 25.14 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.749 0.704 . . . . 0.0 111.025 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.5 tp -56.59 -41.15 76.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -49.69 71.95 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.38 -42.99 98.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -58.04 -41.18 82.67 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -59.97 -55.3 35.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.344 0.658 . . . . 0.0 109.973 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -62.15 -39.53 92.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.027 -1.069 . . . . 0.0 110.933 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.78 -45.12 70.58 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.557 -0.715 . . . . 0.0 109.881 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 m -54.81 -23.54 18.73 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.9 -33.21 55.92 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.385 0.993 . . . . 0.0 110.434 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -65.44 -31.33 72.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.429 0.292 . . . . 0.0 111.264 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.72 -48.91 12.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.099 0.959 . . . . 0.0 109.59 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -69.89 -24.67 63.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.378 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.73 32.5 57.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.34 45.65 0.67 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.942 -0.74 . . . . 0.0 111.909 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -79.22 66.65 4.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.327 1.851 . . . . 0.0 108.637 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -110.88 3.83 19.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -75.91 85.22 2.84 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 119.853 1.206 . . . . 0.0 110.165 -175.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.4 m -75.37 119.65 19.76 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.776 2.03 . . . . 0.0 112.255 -173.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.5 t -58.39 120.41 8.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.417 1.087 . . . . 0.0 108.122 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -76.17 71.76 2.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -152.05 116.75 5.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.11 139.95 27.11 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.999 0.519 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.51 4.37 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.17 48.79 0.77 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.992 0.917 . . . . 0.0 109.802 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -83.25 53.51 2.5 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.946 -1.096 . . . . 0.0 109.362 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.79 126.24 29.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -98.33 120.16 38.26 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -108.99 173.82 6.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.807 1.243 . . . . 0.0 113.13 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.4 p -72.96 -48.06 39.97 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.186 2.194 . . . . 0.0 113.736 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.4 p -136.15 159.94 40.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.911 1.232 . . . . 0.0 109.413 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -57.17 -30.42 64.46 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.904 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.57 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.146 1.339 . . . . 0.0 111.086 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -60.15 -46.41 89.76 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.6 ttp -56.3 -51.48 68.04 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.689 0.796 . . . . 0.0 111.264 178.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -58.59 -54.1 50.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.63 0.772 . . . . 0.0 109.373 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -52.22 -52.64 51.1 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.409 0.55 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -55.52 -54.54 42.69 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.914 0.325 . . . . 0.0 110.177 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -53.9 -44.93 70.92 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.913 0.485 . . . . 0.0 110.654 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.25 -66.16 0.53 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -46.95 -38.05 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.084 2.154 . . . . 0.0 113.136 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -99.95 -70.47 0.73 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.914 0.886 . . . . 0.0 113.001 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.43 -38.0 50.47 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.137 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.316 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.45 143.14 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 118.402 0.546 . . . . 0.0 111.382 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.7 t -58.64 127.85 34.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.83 1.652 . . . . 0.0 110.562 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.23 -45.03 5.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.601 1.961 . . . . 0.0 112.737 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.81 64.32 1.77 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.069 0.948 . . . . 0.0 109.737 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.57 -64.55 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.833 2.853 . . . . 0.0 115.426 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -42.92 -37.97 2.04 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.082 1.753 . . . . 0.0 113.098 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -52.42 -36.63 54.74 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.641 1.576 . . . . 0.0 111.983 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.54 20.05 60.95 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.881 0.753 . . . . 0.0 114.007 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.24 146.26 26.61 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.18 141.45 20.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -145.97 145.33 30.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.056 0.942 . . . . 0.0 108.745 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -78.63 -36.21 44.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.6 130.51 34.46 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.782 -0.574 . . . . 0.0 109.886 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -54.13 -51.2 64.99 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.406 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -53.79 -40.88 66.67 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.339 0.655 . . . . 0.0 110.8 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.06 -44.5 79.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -39.49 94.73 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -62.39 -45.95 90.81 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.79 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -54.56 -54.53 40.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.434 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 mt -52.45 -32.85 41.55 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 117.971 -1.014 . . . . 0.0 112.402 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 p -49.7 -32.14 12.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.197 0.908 . . . . 0.0 111.544 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -55.05 -41.4 71.4 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.678 0.672 . . . . 0.0 111.319 176.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -90.8 -48.52 6.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.216 1.006 . . . . 0.0 111.835 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.1 p -93.02 -21.75 19.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.82 13.45 72.07 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -174.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.98 137.76 39.22 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.804 1.302 . . . . 0.0 109.914 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -132.89 80.64 60.21 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -46.77 -25.97 4.18 Favored 'Trans proline' 0 C--N 1.346 0.423 1 C-N-CA 125.692 4.262 . . . . 0.0 118.979 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.37 81.47 3.04 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 119.265 0.939 . . . . 0.0 111.538 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.25 146.66 28.59 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.184 1.923 . . . . 0.0 111.377 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.98 -28.11 43.49 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.216 0.606 . . . . 0.0 110.467 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 65.57 -31.96 0.15 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -45.04 139.68 3.08 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.496 1.118 . . . . 0.0 112.053 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -51.43 129.35 25.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.151 0.98 . . . . 0.0 109.299 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.38 -61.37 3.54 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.5 t -78.05 49.81 0.83 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.869 0.867 . . . . 0.0 111.215 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -82.54 62.8 6.38 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -69.82 162.07 28.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.563 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.92 102.92 0.64 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -97.56 147.45 24.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 118.214 1.007 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -89.69 -7.95 53.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.929 0.892 . . . . 0.0 112.665 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 p -147.76 153.67 39.53 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.414 1.006 . . . . 0.0 111.492 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.56 -40.99 84.63 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -57.1 -50.51 72.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -59.68 -41.5 90.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.165 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.6 -46.56 89.78 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.488 0.661 . . . . 0.0 110.472 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.0 m -60.18 -55.07 38.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.837 0.855 . . . . 0.0 110.636 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -60.93 -40.93 95.09 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -56.09 -43.18 77.8 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.688 -0.632 . . . . 0.0 109.747 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -56.99 -21.6 31.89 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.77 -30.73 70.99 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.276 -0.89 . . . . 0.0 109.678 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 p -69.19 -34.35 74.78 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.337 0.517 . . . . 0.0 111.034 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -76.45 -50.32 14.37 Favored 'General case' 0 C--N 1.339 0.13 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.4 p -70.12 -26.46 63.97 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.03 21.92 69.8 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.531 1.063 . . . . 0.0 111.23 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.07 56.97 2.11 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.843 0.821 . . . . 0.0 112.236 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -76.44 72.13 3.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.084 1.754 . . . . 0.0 108.232 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -105.55 -2.79 23.15 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -75.98 87.23 2.91 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 120.476 1.489 . . . . 0.0 109.348 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.76 119.35 21.15 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.753 2.021 . . . . 0.0 111.391 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.39 115.74 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -74.43 74.42 1.91 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 t -148.26 112.6 5.27 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.55 131.05 21.11 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.947 0.899 . . . . 0.0 110.98 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.38 -55.97 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.64 45.08 0.48 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.823 1.249 . . . . 0.0 109.973 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.16 51.48 2.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 120.868 -1.145 . . . . 0.0 109.733 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.36 136.58 53.6 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.33 125.76 49.14 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -108.43 161.29 15.17 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.614 1.166 . . . . 0.0 111.802 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.7 -44.41 77.76 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.238 1.415 . . . . 0.0 112.208 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -131.55 160.49 35.11 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.165 0.586 . . . . 0.0 110.462 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -59.72 -44.75 93.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.13 -35.0 79.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.46 -0.775 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.79 -44.98 91.74 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.464 1.029 . . . . 0.0 109.011 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.3 ttp -54.84 -48.48 72.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -60.73 -47.82 84.55 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.8 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.96 -51.13 62.51 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 119.942 1.246 . . . . 0.0 109.034 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -56.27 -54.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.65 -44.12 69.35 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.835 0.826 . . . . 0.0 110.35 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.28 -64.3 1.0 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.5 ttm105 -47.64 -46.82 29.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.79 1.636 . . . . 0.0 112.691 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -90.2 -35.06 15.57 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -114.57 -39.06 3.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.166 0.894 . . . . 0.0 113.209 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 CA-C-N 119.109 0.868 . . . . 0.0 110.962 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 103.676 -2.712 . . . . 0.0 103.676 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mt -110.54 142.01 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.635 0.774 . . . . 0.0 110.405 -176.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -65.96 115.82 6.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.598 1.159 . . . . 0.0 109.122 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.05 -33.04 10.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.368 1.867 . . . . 0.0 114.399 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -74.65 57.26 0.74 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.328 1.051 . . . . 0.0 112.486 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 8.85 -77.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.874 3.269 . . . . 0.0 116.39 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.6 -40.69 20.0 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 125.111 1.365 . . . . 0.0 111.893 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -83.74 69.29 10.16 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 52.24 0.52 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 127.262 2.363 . . . . 0.0 113.248 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.43 146.7 26.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.44 142.68 20.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -151.65 146.68 25.98 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.194 0.452 . . . . 0.0 110.35 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -39.41 75.17 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.883 0.473 . . . . 0.0 110.479 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -78.39 111.46 14.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.352 0.596 . . . . 0.0 111.588 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -40.74 -57.61 1.86 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.091 1.757 . . . . 0.0 110.429 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -53.7 -40.28 65.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.243 1.017 . . . . 0.0 112.467 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -66.03 -46.89 76.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.36 -37.59 87.86 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -60.59 -49.3 78.07 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.799 1.182 . . . . 0.0 109.251 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -43.56 74.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 109.905 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -60.83 -58.28 9.1 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.6 -37.44 49.96 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.753 -0.592 . . . . 0.0 111.972 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -55.27 -30.21 59.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.145 0.43 . . . . 0.0 111.786 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -57.01 -37.35 71.57 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.028 0.376 . . . . 0.0 110.382 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.0 -52.62 4.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.857 0.863 . . . . 0.0 111.521 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -79.55 -29.7 41.46 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.141 1.377 . . . . 0.0 114.526 -172.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.46 6.73 84.6 Favored Glycine 0 CA--C 1.536 1.389 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.29 127.35 31.96 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.154 1.477 . . . . 0.0 109.484 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -126.9 83.68 65.11 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 124.209 1.004 . . . . 0.0 109.432 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -51.54 -22.31 12.36 Favored 'Trans proline' 0 C--N 1.348 0.539 1 C-N-CA 125.807 4.338 . . . . 0.0 118.716 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.12 79.45 1.57 Allowed Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 119.569 1.077 . . . . 0.0 110.302 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -73.75 144.31 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.199 1.933 . . . . 0.0 110.452 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.9 t -86.47 89.64 7.96 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.97 46.01 0.22 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.39 139.21 31.4 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.142 1.777 . . . . 0.0 107.098 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.59 129.41 40.8 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.85 -55.28 3.46 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.1 53.08 0.94 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.811 1.245 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.67 65.24 4.78 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.558 0.743 . . . . 0.0 110.692 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.19 164.15 26.71 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 106.25 0.86 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 108.028 -2.029 . . . . 0.0 108.028 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.03 157.04 18.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.089 0.944 . . . . 0.0 109.665 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -102.78 -1.51 29.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.436 1.094 . . . . 0.0 112.844 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 p -154.25 150.27 27.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 118.847 0.748 . . . . 0.0 110.105 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.9 tp -59.92 -37.07 78.41 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.594 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -47.74 85.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.978 -0.451 . . . . 0.0 110.035 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -57.76 -48.7 78.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 tp -55.44 -40.41 71.53 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.1 m -59.87 -53.41 58.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.074 0.55 . . . . 0.0 109.638 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -62.27 -40.29 95.74 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -55.34 -45.22 76.45 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.551 -0.718 . . . . 0.0 109.891 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.6 m -57.79 -17.52 16.34 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.15 -32.92 71.49 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.048 -1.032 . . . . 0.0 109.345 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.9 p -65.2 -34.13 77.65 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.073 0.397 . . . . 0.0 110.832 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.09 -51.21 9.87 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.738 0.815 . . . . 0.0 109.762 -177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.4 p -69.74 -27.41 64.93 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.247 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.08 20.29 70.44 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.398 0.999 . . . . 0.0 111.41 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.37 52.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.149 0.975 . . . . 0.0 112.151 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -78.26 65.82 3.7 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.217 2.207 . . . . 0.0 107.836 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -102.61 1.28 34.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 -172.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -75.83 83.33 2.77 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 120.181 1.355 . . . . 0.0 109.489 -176.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -79.3 120.75 24.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.147 2.179 . . . . 0.0 110.725 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.71 108.16 1.11 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 172.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -73.76 72.02 1.49 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.957 0.408 . . . . 0.0 110.025 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.0 t -140.55 115.64 9.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.88 130.37 18.01 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 -177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.35 -56.08 4.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.77 44.71 0.47 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.782 1.233 . . . . 0.0 110.074 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.7 53.39 2.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.037 -1.039 . . . . 0.0 109.832 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.82 130.54 42.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.82 122.93 41.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.979 1.311 . . . . 0.0 108.782 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.73 160.26 17.47 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.939 0.895 . . . . 0.0 111.381 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.3 p -70.93 -33.96 71.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.12 1.368 . . . . 0.0 112.741 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 p -137.5 157.23 47.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.902 0.774 . . . . 0.0 110.517 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -57.03 -42.95 81.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.79 95.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.052 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.59 -46.05 91.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.369 0.986 . . . . 0.0 109.126 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.0 ttp -54.01 -49.33 69.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.116 0.566 . . . . 0.0 109.861 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.91 -47.62 85.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.984 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.42 -48.71 71.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.724 1.147 . . . . 0.0 109.262 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -56.78 -54.45 46.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -52.1 -43.16 63.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.152 0.977 . . . . 0.0 110.437 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.96 -62.99 1.4 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -50.15 -41.74 49.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.027 1.331 . . . . 0.0 113.645 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -100.17 -19.7 16.31 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -129.24 -48.93 1.19 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 119.864 1.211 . . . . 0.0 110.637 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.431 0 CA-C-N 119.28 0.946 . . . . 0.0 111.748 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -108.36 142.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.779 0.831 . . . . 0.0 109.816 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.2 t -61.49 119.03 7.78 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.655 1.182 . . . . 0.0 109.648 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -41.16 -42.35 2.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.928 2.091 . . . . 0.0 112.955 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -75.81 63.49 1.67 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.785 1.234 . . . . 0.0 109.104 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.03 -63.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 129.095 2.958 . . . . 0.0 115.405 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.38 -37.5 2.33 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.877 1.671 . . . . 0.0 113.095 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 t -54.65 -34.9 62.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.257 1.423 . . . . 0.0 112.065 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.04 15.36 60.42 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.13 0.871 . . . . 0.0 115.048 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.24 136.7 35.84 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.898 1.349 . . . . 0.0 108.294 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.05 142.36 20.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -153.78 147.71 25.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.327 0.651 . . . . 0.0 109.486 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -74.59 -29.5 61.34 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.638 -0.664 . . . . 0.0 110.661 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -78.54 111.84 15.0 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.889 0.475 . . . . 0.0 111.036 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -50.26 -51.74 42.13 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 124.205 1.002 . . . . 0.0 110.539 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 25.6 p-90 -52.77 -42.33 64.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.14 0.576 . . . . 0.0 110.303 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -70.25 -46.99 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.435 0.694 . . . . 0.0 110.73 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.22 -45.45 94.52 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -57.52 -46.66 83.56 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 -34.38 64.75 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 122.65 0.38 . . . . 0.0 110.489 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.52 -55.04 8.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.379 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -44.0 -39.78 4.32 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.929 0.892 . . . . 0.0 112.504 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 p -43.2 -39.52 2.96 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.12 0.568 . . . . 0.0 112.309 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -53.42 -44.7 68.97 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.922 0.889 . . . . 0.0 112.009 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -91.12 -47.78 7.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.675 0.79 . . . . 0.0 111.58 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -81.8 -28.3 33.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.05 11.34 85.26 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -172.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -76.69 130.54 37.91 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.874 1.337 . . . . 0.0 109.89 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -132.8 80.37 61.37 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.92 -27.12 26.82 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 124.834 3.689 . . . . 0.0 117.803 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -115.19 72.48 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.341 0.973 . . . . 0.0 112.594 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.45 162.04 36.54 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.518 2.145 . . . . 0.0 109.801 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -80.49 -13.61 58.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.611 1.564 . . . . 0.0 112.842 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.66 -47.38 0.67 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.697 1.599 . . . . 0.0 114.313 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -43.04 140.72 1.34 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.279 1.432 . . . . 0.0 112.958 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mp0 -55.09 130.01 40.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.95 -64.14 3.1 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.78 58.93 2.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.31 0.644 . . . . 0.0 109.853 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.67 -30.97 41.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.368 0.667 . . . . 0.0 109.694 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 44.77 -146.15 0.12 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.777 2.031 . . . . 0.0 111.379 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.77 81.65 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -93.01 153.98 18.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 p -93.45 -8.05 42.72 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 p -147.8 161.43 41.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.203 0.91 . . . . 0.0 108.864 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.1 -41.4 97.29 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -69.34 -38.25 78.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.236 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -56.57 -47.37 79.65 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 173.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.13 -38.73 90.07 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.3 m -60.88 -48.68 80.68 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.242 -0.912 . . . . 0.0 110.031 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -60.59 -41.37 94.57 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.801 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -55.43 -45.06 76.79 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.787 0.721 . . . . 0.0 109.973 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 m -55.79 -20.14 13.93 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.9 mt -59.96 -31.78 70.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.354 -0.841 . . . . 0.0 109.704 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.5 p -65.59 -36.35 83.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.257 0.48 . . . . 0.0 111.165 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -78.3 -51.22 10.45 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.813 0.445 . . . . 0.0 110.028 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.0 p -67.61 -27.87 67.26 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.75 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 23.08 71.59 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.089 0.852 . . . . 0.0 111.567 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -79.5 54.26 1.71 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.088 0.944 . . . . 0.0 111.9 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.52 68.06 3.55 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.82 2.448 . . . . 0.0 107.956 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.54 -2.99 21.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.29 85.52 2.47 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 119.975 1.261 . . . . 0.0 109.723 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -78.58 120.19 22.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.664 1.985 . . . . 0.0 110.684 -175.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.03 119.78 8.98 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -76.23 68.11 2.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.638 0.775 . . . . 0.0 109.905 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -143.17 116.08 8.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 132.3 29.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.66 0.784 . . . . 0.0 110.719 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.3 -56.74 4.88 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.75 45.68 0.52 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.699 1.199 . . . . 0.0 109.965 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.75 52.01 2.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 120.887 -1.133 . . . . 0.0 109.366 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.17 135.23 48.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -98.1 121.75 40.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.066 1.346 . . . . 0.0 108.745 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -108.51 159.64 16.53 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.874 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.43 -52.75 23.83 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.312 1.445 . . . . 0.0 111.817 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.1 p -120.42 157.35 29.5 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.346 0.521 . . . . 0.0 110.212 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -58.9 -40.49 84.65 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 174.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.49 90.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.57 -0.706 . . . . 0.0 111.346 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.03 -44.33 96.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 108.788 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.4 ttp -55.18 -47.97 74.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.53 -48.46 81.66 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.768 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -52.69 -50.97 62.25 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.955 1.252 . . . . 0.0 109.071 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -56.26 -54.05 49.95 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -54.87 -42.29 71.87 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.86 0.838 . . . . 0.0 110.302 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -60.66 -59.9 4.65 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -54.92 -42.95 72.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.563 1.545 . . . . 0.0 113.164 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -94.42 -27.55 15.97 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -125.66 -45.0 1.79 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 119.39 0.995 . . . . 0.0 113.133 -172.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 119.168 0.894 . . . . 0.0 111.899 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.45 147.56 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.191 0.997 . . . . 0.0 108.871 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -72.97 112.82 9.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.706 1.603 . . . . 0.0 108.566 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -41.88 -35.15 0.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.097 2.159 . . . . 0.0 113.563 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.01 81.58 0.31 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.949 0.9 . . . . 0.0 109.608 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 65.35 0.08 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.482 2.313 . . . . 0.0 110.499 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -164.28 -50.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 130.016 3.327 . . . . 0.0 104.394 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.1 t -70.61 -51.65 26.74 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.12 40.43 66.7 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.882 0.754 . . . . 0.0 114.527 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.23 167.39 20.36 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.95 148.88 15.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.393 -0.817 . . . . 0.0 108.929 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -148.7 154.05 39.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.507 0.594 . . . . 0.0 110.052 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -45.17 62.78 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -89.9 137.66 32.15 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -176.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.12 -50.12 70.03 Favored 'General case' 0 C--O 1.227 -0.111 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.546 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -52.82 -42.27 64.98 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.729 0.812 . . . . 0.0 111.304 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.03 -48.9 72.22 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.6 -36.26 83.23 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.154 -0.341 . . . . 0.0 110.098 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.25 -47.4 82.56 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 120.811 -1.18 . . . . 0.0 109.537 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.02 -46.0 75.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -57.46 -54.19 49.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.789 174.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -52.11 -32.29 34.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 118.491 -0.766 . . . . 0.0 112.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.6 p -54.06 -30.86 49.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.727 1.149 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -51.57 -45.19 62.99 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.86 -47.34 7.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 112.165 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 p -85.41 -27.78 25.54 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -172.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.44 12.39 80.11 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -173.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.04 144.27 38.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.896 1.348 . . . . 0.0 110.2 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -132.48 79.13 65.93 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 124.323 1.049 . . . . 0.0 108.189 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.82 -27.13 10.76 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 125.224 3.949 . . . . 0.0 118.484 -175.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.87 81.59 2.66 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 119.243 0.929 . . . . 0.0 111.507 -174.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.15 156.12 37.86 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 121.716 1.611 . . . . 0.0 110.518 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.2 t -89.28 -37.23 15.09 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 53.05 30.81 10.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.064 0.945 . . . . 0.0 113.357 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.82 163.67 15.57 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.471 0.653 . . . . 0.0 109.491 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -56.56 108.09 0.45 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.619 1.167 . . . . 0.0 108.769 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.71 -48.77 2.99 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.1 t -75.76 59.42 1.2 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.573 1.549 . . . . 0.0 110.298 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 59.76 5.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -66.82 162.03 22.49 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 122.046 -0.409 . . . . 0.0 110.477 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.75 105.72 0.79 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.05 149.69 24.32 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.364 1.082 . . . . 0.0 110.248 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -93.37 -1.9 55.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.065 0.946 . . . . 0.0 113.247 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 p -150.92 153.67 35.7 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.624 1.102 . . . . 0.0 111.442 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.31 -38.56 89.86 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -47.38 85.74 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -55.66 -48.45 75.0 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.68 -44.97 90.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 110.76 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 m -58.82 -56.61 20.01 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 110.316 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -60.97 -40.82 94.85 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.999 -0.438 . . . . 0.0 110.09 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -56.17 -44.3 79.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.592 -0.693 . . . . 0.0 109.856 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.3 m -56.42 -20.42 19.64 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -32.9 70.77 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.483 -0.76 . . . . 0.0 109.597 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 p -68.37 -34.13 75.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.014 0.37 . . . . 0.0 111.436 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.12 -48.81 19.27 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.3 p -69.35 -24.71 63.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.553 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.54 61.03 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.04 61.96 4.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 122.076 0.941 . . . . 0.0 111.862 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -78.63 68.41 4.6 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -99.21 -14.78 19.16 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -74.47 88.6 2.12 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.446 1.021 . . . . 0.0 110.27 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.81 125.5 29.44 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.605 1.962 . . . . 0.0 111.429 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.62 118.67 8.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -75.24 72.92 2.34 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 t -148.55 113.15 5.35 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.51 132.89 30.33 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.507 0.723 . . . . 0.0 110.679 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.27 -56.47 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.94 47.5 0.65 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.529 1.132 . . . . 0.0 109.826 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.92 51.12 1.97 Allowed 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 120.869 -1.145 . . . . 0.0 109.579 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.21 134.75 50.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.59 136.95 40.57 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -119.13 161.97 19.41 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -46.33 80.46 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.576 1.55 . . . . 0.0 112.041 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.6 p -129.68 160.34 33.65 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.164 0.506 . . . . 0.0 110.625 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.08 -50.7 70.29 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.995 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.78 78.92 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.47 -178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.53 -44.23 96.87 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.921 1.237 . . . . 0.0 109.002 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -57.16 -44.51 83.56 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.11 -49.99 75.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.105 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -51.61 -52.61 46.16 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 119.327 0.967 . . . . 0.0 109.05 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -56.13 -54.02 50.13 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.339 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.37 -44.44 65.28 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.457 0.646 . . . . 0.0 110.692 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -63.31 -57.16 11.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.13 0.972 . . . . 0.0 109.857 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.14 -35.28 66.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.952 2.101 . . . . 0.0 113.123 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -107.53 -21.11 13.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -130.39 -60.98 0.98 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 119.969 1.258 . . . . 0.0 110.526 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 O-C-N 121.677 -0.639 . . . . 0.0 110.816 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -100.1 142.54 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.342 0.657 . . . . 0.0 110.353 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.3 t -61.21 121.38 12.41 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 110.161 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -44.05 -40.97 5.18 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.663 1.985 . . . . 0.0 113.051 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.46 63.85 1.52 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 109.473 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.5 -65.17 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.075 2.95 . . . . 0.0 115.519 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.79 -36.99 2.51 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.894 1.677 . . . . 0.0 113.146 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.39 -34.88 62.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.418 1.487 . . . . 0.0 111.896 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.0 25.68 62.24 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.238 0.923 . . . . 0.0 114.304 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.61 143.11 27.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.35 145.49 24.61 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -148.32 151.24 35.02 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.33 0.652 . . . . 0.0 109.563 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -82.06 -38.05 25.51 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 109.926 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -77.42 120.09 21.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.7 -48.77 74.56 Favored 'General case' 0 N--CA 1.458 -0.046 0 O-C-N 122.089 -0.382 . . . . 0.0 110.287 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.61 -40.45 65.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.694 0.798 . . . . 0.0 111.317 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -66.46 -46.22 77.13 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 tp -60.46 -39.85 89.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.801 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -60.12 -47.51 85.62 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.605 1.093 . . . . 0.0 109.586 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.74 -37.71 71.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.241 0.616 . . . . 0.0 110.514 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.62 -59.05 3.66 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.798 -0.564 . . . . 0.0 109.487 175.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -49.39 -35.04 17.8 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 125.135 1.374 . . . . 0.0 112.016 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 p -51.56 -32.92 30.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.487 0.585 . . . . 0.0 111.474 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.49 -38.51 81.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.826 0.451 . . . . 0.0 111.494 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.53 -47.93 7.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.485 0.714 . . . . 0.0 111.234 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -85.22 -30.47 23.84 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -172.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.77 7.23 88.34 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -78.42 137.47 38.0 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.957 1.379 . . . . 0.0 110.766 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -132.03 79.94 65.88 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.669 1.188 . . . . 0.0 108.112 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.33 -20.77 12.04 Favored 'Trans proline' 0 C--N 1.347 0.486 1 C-N-CA 125.356 4.037 . . . . 0.0 118.278 -174.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.37 79.11 2.08 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 119.471 1.032 . . . . 0.0 110.356 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.23 148.76 31.05 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.404 2.069 . . . . 0.0 110.789 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.8 t -90.49 88.73 7.27 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -73.25 47.24 0.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -94.36 152.16 18.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.277 1.031 . . . . 0.0 108.833 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -62.9 130.53 45.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -57.61 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.8 t -77.3 52.12 0.9 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.445 1.098 . . . . 0.0 110.589 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.23 64.84 5.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.987 0.915 . . . . 0.0 109.958 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -74.05 166.42 23.42 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.039 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.99 109.51 0.99 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 108.248 -1.941 . . . . 0.0 108.248 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -112.75 158.64 19.84 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.878 0.839 . . . . 0.0 109.514 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 p -99.46 -9.99 22.72 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.6 p -148.19 157.59 43.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.211 0.914 . . . . 0.0 109.81 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.09 -41.13 82.82 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -60.02 -55.02 39.16 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.158 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -53.25 -43.31 67.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.625 0.648 . . . . 0.0 109.385 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.89 -44.95 94.71 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.933 -0.479 . . . . 0.0 111.246 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.8 m -62.11 -49.63 75.14 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.359 -0.838 . . . . 0.0 110.66 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -40.43 97.4 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -55.59 -44.55 77.05 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.419 -0.801 . . . . 0.0 109.44 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 m -57.7 -15.56 8.22 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.11 -34.3 70.06 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.76 1.164 . . . . 0.0 109.081 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -63.16 -31.77 73.0 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.284 0.234 . . . . 0.0 111.343 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -83.81 -52.77 6.11 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.962 0.905 . . . . 0.0 109.996 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.4 p -65.7 -30.12 70.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.178 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 24.97 66.21 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.723 0.678 . . . . 0.0 111.668 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.38 55.1 1.84 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.086 0.945 . . . . 0.0 110.775 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -78.78 67.6 4.55 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.206 2.203 . . . . 0.0 105.744 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -107.51 -6.51 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -75.33 87.06 2.52 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.033 0.833 . . . . 0.0 108.983 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.9 m -82.12 123.87 29.35 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 126.464 1.906 . . . . 0.0 110.504 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.0 t -61.96 115.34 3.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -74.57 72.08 1.9 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 109.976 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -148.19 116.95 6.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.76 135.06 30.06 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.456 0.703 . . . . 0.0 110.483 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.54 -59.16 4.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.34 48.02 0.73 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.67 0.788 . . . . 0.0 109.996 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.08 53.27 2.4 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 120.928 -1.108 . . . . 0.0 108.812 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.5 mt -71.38 129.66 39.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -94.59 131.2 40.6 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.42 1.088 . . . . 0.0 109.16 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -118.68 157.27 27.77 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 111.184 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -69.8 -55.25 10.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.589 1.155 . . . . 0.0 111.381 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.3 p -115.13 152.97 31.62 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.235 0.614 . . . . 0.0 109.907 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -57.34 -40.56 78.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.01 89.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.624 -0.672 . . . . 0.0 111.249 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.404 1.002 . . . . 0.0 108.984 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.7 ttp -55.08 -46.4 75.45 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -61.54 -47.86 83.62 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.787 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -53.34 -49.35 67.29 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 119.764 1.165 . . . . 0.0 109.393 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -56.33 -54.57 43.85 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -52.55 -46.06 66.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.183 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -57.96 -67.44 0.34 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.347 1.059 . . . . 0.0 108.88 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -49.57 -37.26 26.68 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.931 1.692 . . . . 0.0 113.574 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -98.44 -68.56 0.8 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.774 0.829 . . . . 0.0 112.484 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -78.0 -37.5 46.99 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.062 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.41 142.89 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.574 0.749 . . . . 0.0 109.687 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.41 120.33 10.27 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.617 1.167 . . . . 0.0 110.138 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.5 -42.67 3.39 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.811 2.045 . . . . 0.0 112.766 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -75.5 63.87 1.55 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.624 1.169 . . . . 0.0 109.31 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.42 -64.09 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 129.082 2.953 . . . . 0.0 115.452 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.05 -36.75 2.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.766 1.626 . . . . 0.0 113.201 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.5 t -55.02 -34.1 63.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.304 1.442 . . . . 0.0 111.866 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 22.32 62.44 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.496 1.046 . . . . 0.0 114.909 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.85 141.92 28.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.54 1.17 . . . . 0.0 108.907 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.45 144.98 21.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.732 -0.652 . . . . 0.0 109.382 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -154.42 148.5 25.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.504 0.593 . . . . 0.0 110.08 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.81 -53.01 20.22 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -72.95 113.16 9.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.516 0.674 . . . . 0.0 110.675 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -35.66 -56.01 0.68 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 127.372 2.269 . . . . 0.0 111.686 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -54.29 -37.64 65.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.428 1.091 . . . . 0.0 112.983 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -68.2 -46.12 71.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -38.63 91.84 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -59.72 -48.36 81.99 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.82 -1.175 . . . . 0.0 109.891 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.41 75.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -59.73 -54.76 42.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.949 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 mp -48.99 -41.66 35.15 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.51 -0.744 . . . . 0.0 112.347 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.8 p -50.82 -32.61 20.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.712 0.687 . . . . 0.0 111.875 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -55.39 -40.87 71.91 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.001 0.521 . . . . 0.0 110.949 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.97 -51.37 5.23 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.988 0.915 . . . . 0.0 111.618 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 p -77.68 -30.17 51.8 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.294 1.438 . . . . 0.0 114.138 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.87 9.84 79.88 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -78.04 144.65 36.43 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.898 1.349 . . . . 0.0 110.45 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -132.53 77.33 70.03 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 0.0 109.399 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.4 -25.1 9.74 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 125.131 3.887 . . . . 0.0 118.5 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.51 79.17 2.21 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 119.748 1.158 . . . . 0.0 112.391 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.93 148.34 45.36 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 121.962 1.775 . . . . 0.0 109.818 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.01 -6.64 48.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.976 0.91 . . . . 0.0 113.413 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 72.04 -46.72 0.65 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.354 1.862 . . . . 0.0 113.884 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -48.93 118.84 2.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.286 1.034 . . . . 0.0 111.734 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -73.06 65.54 0.78 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.708 1.603 . . . . 0.0 110.097 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.18 -68.73 0.1 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.3 t -79.76 55.34 2.02 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.58 62.14 4.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.473 -0.767 . . . . 0.0 110.484 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -71.57 154.71 41.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.39 102.22 0.86 Allowed Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.537 -2.225 . . . . 0.0 107.537 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.99 147.17 24.77 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.083 0.941 . . . . 0.0 109.854 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -90.26 -9.6 47.37 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.5 p -147.05 154.18 40.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.941 0.791 . . . . 0.0 111.064 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.02 -33.23 74.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.595 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -63.81 -46.32 85.67 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.491 -0.755 . . . . 0.0 110.297 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.13 -47.9 77.26 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 tp -54.75 -45.67 74.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.363 0.665 . . . . 0.0 110.075 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.2 m -58.54 -53.71 55.28 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.991 0.516 . . . . 0.0 110.223 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -63.92 -39.31 93.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.428 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -56.16 -43.5 78.38 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.281 -0.887 . . . . 0.0 109.638 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 m -55.3 -19.8 9.56 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.3 -34.43 68.69 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.205 0.911 . . . . 0.0 109.586 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 p -68.3 -34.96 77.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.948 0.499 . . . . 0.0 111.533 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -76.82 -46.88 23.17 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.9 p -67.79 -27.34 66.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.36 0.264 . . . . 0.0 110.837 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.62 30.66 47.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -79.93 50.28 1.18 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.91 0.862 . . . . 0.0 111.604 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -81.29 66.86 7.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -124.48 6.23 8.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -76.78 86.44 3.38 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -77.37 122.44 25.15 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.551 1.94 . . . . 0.0 111.044 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.8 t -61.91 117.71 6.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.48 73.76 1.92 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 t -148.94 113.61 5.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.15 131.64 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.836 0.854 . . . . 0.0 110.902 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.52 -55.88 4.87 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.61 44.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.974 1.309 . . . . 0.0 109.991 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -83.61 53.39 2.51 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.965 -1.084 . . . . 0.0 109.605 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.26 132.45 45.73 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -98.75 116.61 31.37 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.432 1.093 . . . . 0.0 109.879 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -100.83 161.96 13.23 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.58 0.752 . . . . 0.0 111.074 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -70.21 -55.73 8.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.043 1.337 . . . . 0.0 110.84 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.5 p -109.84 152.97 25.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 110.471 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -55.28 -45.68 76.16 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.98 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.397 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.28 -44.0 95.72 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.898 1.226 . . . . 0.0 108.778 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -58.01 -46.12 85.78 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.53 -51.09 71.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.593 0.633 . . . . 0.0 110.087 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -52.92 -53.8 44.16 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.645 0.778 . . . . 0.0 109.441 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -55.28 -53.7 52.73 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.105 0.411 . . . . 0.0 110.265 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -53.25 -46.61 69.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.689 0.757 . . . . 0.0 109.662 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -59.85 -62.97 1.48 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.164 0.586 . . . . 0.0 109.757 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -45.9 -46.75 16.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.293 2.237 . . . . 0.0 112.309 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -94.25 -25.04 17.21 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -122.75 -30.05 3.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.059 1.3 . . . . 0.0 113.598 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.623 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.1 mt -106.68 144.23 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.958 0.903 . . . . 0.0 110.289 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.63 119.49 10.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.821 1.249 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.44 -41.06 5.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.745 2.018 . . . . 0.0 112.349 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -75.37 66.11 1.76 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.34 1.056 . . . . 0.0 108.822 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -18.36 -61.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 129.026 2.93 . . . . 0.0 115.077 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.09 -38.36 2.34 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.809 1.644 . . . . 0.0 113.02 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -56.05 -35.87 67.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.862 1.265 . . . . 0.0 112.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.25 27.38 60.26 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.18 0.895 . . . . 0.0 113.982 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.05 142.68 27.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.52 145.95 24.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 118.418 -0.801 . . . . 0.0 108.889 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -149.01 149.25 30.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.415 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -53.47 -50.54 65.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.286 1.434 . . . . 0.0 114.111 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -95.79 143.47 26.99 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.53 -49.13 73.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.322 175.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.0 p-90 -54.16 -40.88 67.88 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.286 0.494 . . . . 0.0 111.501 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -67.05 -48.37 68.5 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.06 -44.1 93.45 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -47.01 77.63 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.269 -0.894 . . . . 0.0 110.125 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.94 71.79 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -49.73 -49.53 47.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.809 0.731 . . . . 0.0 110.625 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -54.05 -22.37 10.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.672 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 p -54.84 -33.15 61.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.695 1.134 . . . . 0.0 110.531 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -53.12 -45.73 68.43 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 123.238 0.615 . . . . 0.0 111.611 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -90.17 -46.1 8.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.459 0.703 . . . . 0.0 111.921 -174.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -83.95 -26.97 28.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -174.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.99 9.92 80.36 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -78.38 156.82 29.29 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.525 1.163 . . . . 0.0 111.671 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -134.18 76.56 63.13 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.81 -24.56 3.12 Favored 'Trans proline' 0 CA--C 1.534 0.485 1 C-N-CA 126.091 4.527 . . . . 0.0 119.012 -173.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -113.65 84.99 8.7 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 111.23 -175.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.01 142.61 28.04 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.279 1.986 . . . . 0.0 111.261 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -90.44 93.01 9.13 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -76.01 50.82 0.62 Allowed 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.474 -0.766 . . . . 0.0 112.391 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.08 159.86 14.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.44 1.496 . . . . 0.0 109.917 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.48 123.27 20.35 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.28 -52.92 3.06 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.228 0.442 . . . . 0.0 112.269 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.46 55.71 1.03 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.811 1.244 . . . . 0.0 110.62 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.97 64.46 4.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.611 0.765 . . . . 0.0 109.614 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -73.0 164.29 26.92 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.672 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.03 107.81 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.39 -2.684 . . . . 0.0 106.39 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -101.66 147.63 26.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.092 0.946 . . . . 0.0 110.115 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -85.66 -17.87 34.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.19 0.996 . . . . 0.0 112.962 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.0 p -142.02 155.46 45.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.293 0.951 . . . . 0.0 112.04 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.18 -39.89 88.05 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.369 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -43.23 94.85 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.912 -0.566 . . . . 0.0 110.276 178.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -55.64 -46.63 77.43 Favored 'General case' 0 C--N 1.344 0.327 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.34 -45.75 92.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.139 0.495 . . . . 0.0 110.65 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.9 m -57.49 -56.03 27.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 110.186 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -63.27 -38.89 92.94 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.865 -0.522 . . . . 0.0 110.166 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -55.77 -41.37 73.93 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.377 -0.827 . . . . 0.0 109.546 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -56.17 -19.24 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.98 -33.38 70.6 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.271 -0.893 . . . . 0.0 109.463 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -67.64 -34.64 77.37 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.181 0.446 . . . . 0.0 111.367 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -77.31 -50.59 12.5 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.1 p -67.64 -28.58 67.84 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.269 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.16 67.02 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.663 1.125 . . . . 0.0 111.318 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -79.77 50.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.295 1.047 . . . . 0.0 112.353 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -78.79 63.44 3.53 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.329 2.251 . . . . 0.0 107.63 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -99.25 0.57 43.42 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -75.87 83.7 2.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.963 1.256 . . . . 0.0 109.79 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -79.66 119.42 22.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 127.511 2.324 . . . . 0.0 110.51 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -59.93 114.98 3.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.98 72.65 2.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -144.44 116.29 8.27 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.49 129.35 18.89 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.995 0.918 . . . . 0.0 110.898 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.56 -54.68 4.63 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.7 t -77.54 48.53 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.713 1.205 . . . . 0.0 109.969 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.64 52.86 2.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 120.951 -1.093 . . . . 0.0 109.574 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.31 131.73 45.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.21 125.86 42.02 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 124.893 1.277 . . . . 0.0 108.953 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -114.8 159.41 20.64 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.876 0.87 . . . . 0.0 111.432 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -69.24 -39.98 78.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.177 1.391 . . . . 0.0 112.409 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -132.76 156.84 46.35 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.259 0.552 . . . . 0.0 110.582 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.01 -42.96 91.4 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.585 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.562 -0.711 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.6 -47.05 87.11 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.905 0.775 . . . . 0.0 108.977 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.3 ttp -55.3 -48.71 73.7 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.022 0.529 . . . . 0.0 110.369 176.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -59.63 -50.96 71.83 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.875 0.87 . . . . 0.0 110.299 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -55.35 -46.65 76.41 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.764 0.711 . . . . 0.0 109.801 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -57.89 -55.1 39.28 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.238 0.472 . . . . 0.0 109.853 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -51.65 -44.58 63.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.742 0.782 . . . . 0.0 109.403 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -60.76 -61.78 2.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.825 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -46.75 -46.91 20.74 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.996 1.318 . . . . 0.0 112.557 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -95.33 -23.25 17.28 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -125.35 -23.56 4.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.809 1.186 . . . . 0.0 113.713 -173.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 N--CA 1.463 0.191 0 CA-C-N 119.554 1.07 . . . . 0.0 108.372 176.885 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.8 mt -88.9 144.62 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.613 0.765 . . . . 0.0 112.627 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.89 127.88 34.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.351 1.86 . . . . 0.0 110.44 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.17 -43.25 9.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.137 1.775 . . . . 0.0 112.422 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -75.89 64.74 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.907 0.883 . . . . 0.0 109.073 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.23 -62.47 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.797 2.839 . . . . 0.0 115.336 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.13 -37.56 2.09 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.862 1.665 . . . . 0.0 113.129 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.01 -35.76 59.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.448 1.499 . . . . 0.0 112.038 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.62 23.22 62.67 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.898 0.761 . . . . 0.0 114.1 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.09 144.27 26.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.73 144.52 24.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.333 -0.842 . . . . 0.0 109.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -146.06 156.06 43.21 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.889 0.768 . . . . 0.0 112.118 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -73.12 -29.99 63.3 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -173.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -114.62 142.51 46.36 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.623 0.769 . . . . 0.0 110.364 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.37 -47.76 80.8 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.614 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.52 -41.48 66.42 Favored 'General case' 0 C--N 1.341 0.236 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -66.58 -46.74 74.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.98 -40.05 79.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.52 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -61.7 -45.73 92.72 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.699 0.682 . . . . 0.0 109.83 177.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.98 68.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.435 0.694 . . . . 0.0 110.228 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -69.03 -59.28 3.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.3 mt -48.96 -30.82 6.43 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 125.009 1.323 . . . . 0.0 112.751 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 p -49.79 -34.86 20.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.711 0.687 . . . . 0.0 111.108 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.1 -35.79 77.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.786 0.434 . . . . 0.0 111.941 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -90.22 -48.18 7.32 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.165 0.586 . . . . 0.0 111.151 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -87.2 -28.14 22.58 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 9.44 86.98 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -172.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -77.54 139.98 39.66 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.861 1.331 . . . . 0.0 111.405 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -135.53 80.08 45.93 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.74 -25.95 4.12 Favored 'Trans proline' 0 C--N 1.348 0.507 1 C-N-CA 125.853 4.369 . . . . 0.0 118.76 -174.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.32 80.34 2.5 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 119.182 0.901 . . . . 0.0 110.634 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.91 150.58 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.54 2.16 . . . . 0.0 111.61 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.8 t -91.18 82.94 5.49 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -73.28 51.54 0.33 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -95.23 158.38 15.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.048 1.339 . . . . 0.0 108.731 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -64.41 129.16 38.81 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.03 -57.14 3.15 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.943 -0.473 . . . . 0.0 112.318 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.6 t -77.27 51.43 0.85 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.263 1.025 . . . . 0.0 110.933 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.32 66.29 4.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.896 0.879 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -74.75 167.45 21.79 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.145 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.45 113.0 1.28 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -115.0 150.2 36.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.056 0.928 . . . . 0.0 109.789 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -87.29 -12.38 46.74 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -146.46 160.27 42.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.18 0.9 . . . . 0.0 109.466 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.89 -42.65 99.85 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -67.67 -39.46 84.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.866 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -58.22 -47.12 84.48 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.07 -42.45 90.39 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.407 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 m -61.04 -52.8 63.45 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.592 -0.693 . . . . 0.0 111.039 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -55.77 -39.53 71.35 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.723 0.692 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.23 -49.95 73.7 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.4 m -51.21 -31.38 20.24 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.591 0.756 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.5 mt -50.49 -31.98 16.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.56 0.618 . . . . 0.0 111.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.5 p -64.72 -29.86 70.86 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.162 -0.336 . . . . 0.0 111.715 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.24 -48.79 15.0 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 123.915 0.886 . . . . 0.0 109.453 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.1 p -71.44 -24.83 62.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.379 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 33.04 44.71 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.11 56.87 2.53 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 122.011 0.91 . . . . 0.0 111.217 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -78.99 77.31 5.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -122.99 -4.27 8.54 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.83 86.42 2.81 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.99 1.268 . . . . 0.0 108.351 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.9 m -77.27 118.53 19.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.065 1.746 . . . . 0.0 111.356 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.49 117.4 4.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -75.22 70.95 2.2 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.867 0.467 . . . . 0.0 110.156 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -147.17 118.54 7.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.74 139.31 26.83 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.95 0.5 . . . . 0.0 109.794 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.79 -61.05 4.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.24 49.34 0.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.646 0.778 . . . . 0.0 110.233 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -83.07 51.71 2.01 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 120.993 -1.067 . . . . 0.0 108.739 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.78 129.85 39.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -98.68 123.04 42.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.92 160.92 14.4 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.041 0.936 . . . . 0.0 110.613 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -70.41 -38.44 74.61 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.671 1.188 . . . . 0.0 112.217 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.0 p -131.17 156.42 45.34 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.309 0.504 . . . . 0.0 110.2 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -57.05 -45.71 82.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.59 87.87 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.762 -0.637 . . . . 0.0 111.535 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.8 -44.88 96.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.597 1.089 . . . . 0.0 108.972 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.1 ttp -56.47 -47.98 78.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.975 0.51 . . . . 0.0 109.864 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -58.42 -50.19 74.6 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.346 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.8 -48.86 72.23 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.328 0.967 . . . . 0.0 109.641 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -53.36 -52.15 60.17 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -56.7 -46.8 81.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.167 0.508 . . . . 0.0 111.149 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.04 -37.33 76.74 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.577 1.551 . . . . 0.0 110.634 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -79.2 -38.1 36.62 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.059 0.944 . . . . 0.0 111.456 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -97.92 -74.28 0.58 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -174.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.28 -28.98 61.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.008 0.523 . . . . 0.0 112.374 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 176.121 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 104.391 -2.448 . . . . 0.0 104.391 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 143.98 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.886 0.875 . . . . 0.0 109.963 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.51 117.24 7.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.716 1.206 . . . . 0.0 110.197 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -43.2 -40.32 3.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 126.923 2.089 . . . . 0.0 112.905 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.71 65.33 1.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.482 1.113 . . . . 0.0 109.336 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.89 -63.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 129.009 2.923 . . . . 0.0 115.241 -177.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.81 -37.86 2.98 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.722 1.609 . . . . 0.0 113.059 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.6 t -56.23 -34.65 66.54 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.017 1.327 . . . . 0.0 112.031 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.7 27.17 61.16 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.405 1.002 . . . . 0.0 114.193 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.85 142.98 27.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 118.103 0.952 . . . . 0.0 108.918 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.78 148.94 25.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -147.29 158.67 44.05 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.005 0.522 . . . . 0.0 110.546 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -75.02 -53.12 9.47 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 124.042 0.937 . . . . 0.0 111.559 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -82.19 129.38 34.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.795 -0.565 . . . . 0.0 110.758 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -49.37 -48.8 46.54 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.403 0.681 . . . . 0.0 111.296 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -55.62 -36.57 67.11 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.103 0.961 . . . . 0.0 112.562 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -66.86 -48.24 69.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.51 -35.03 79.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.021 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.07 -50.44 73.71 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 120.705 -1.247 . . . . 0.0 109.359 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.79 79.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -57.81 -54.26 48.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.185 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.01 -36.57 63.13 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.736 -0.603 . . . . 0.0 111.964 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.5 p -54.38 -31.33 54.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.217 0.917 . . . . 0.0 111.615 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.01 -39.5 74.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.31 0.504 . . . . 0.0 111.066 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -90.75 -49.88 6.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.447 0.699 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -80.28 -30.62 38.32 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -172.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.13 8.1 82.8 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -172.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.79 152.61 31.3 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.824 1.312 . . . . 0.0 110.684 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -131.55 77.28 73.59 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.477 1.111 . . . . 0.0 108.278 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -50.99 -21.03 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.388 1 C-N-CA 125.588 4.192 . . . . 0.0 118.694 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -112.1 79.03 2.59 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 119.778 1.172 . . . . 0.0 111.133 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.29 139.18 28.75 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.669 2.246 . . . . 0.0 110.019 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.81 -20.85 48.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.958 0.903 . . . . 0.0 111.381 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 66.38 -38.82 0.31 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.922 2.089 . . . . 0.0 116.337 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -42.96 137.46 2.37 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.266 1.026 . . . . 0.0 112.773 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -55.2 130.9 43.92 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.6 -61.74 3.58 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.11 47.51 0.67 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.507 1.123 . . . . 0.0 110.432 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -84.71 60.21 6.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.99 155.74 35.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.252 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.28 100.53 0.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 106.764 -2.535 . . . . 0.0 106.764 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -96.55 148.77 22.49 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.274 1.037 . . . . 0.0 109.97 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -96.18 -7.57 35.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.397 1.079 . . . . 0.0 112.194 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 p -147.08 139.06 24.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.599 0.636 . . . . 0.0 111.841 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.49 -45.82 73.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.48 1.112 . . . . 0.0 110.334 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -56.27 -44.35 79.68 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -63.14 -47.44 82.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.6 -45.6 77.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.464 0.649 . . . . 0.0 110.267 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -56.85 -57.48 12.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.505 0.722 . . . . 0.0 110.167 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -67.64 -32.69 73.55 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.126 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.52 -42.97 71.48 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.175 -0.953 . . . . 0.0 108.806 174.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.5 m -53.81 -23.98 14.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.97 -33.85 58.1 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.433 1.015 . . . . 0.0 110.499 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.9 p -65.14 -30.73 71.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.373 0.269 . . . . 0.0 110.965 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.74 -49.05 12.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 124.348 1.059 . . . . 0.0 109.551 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 p -70.23 -23.72 62.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.483 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.84 55.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.01 46.26 0.79 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.758 -0.848 . . . . 0.0 111.936 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.82 66.62 4.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.968 2.107 . . . . 0.0 108.46 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -112.57 1.83 15.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -173.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.13 88.11 2.44 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 120.022 1.283 . . . . 0.0 109.574 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.5 m -77.02 119.62 20.99 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 126.313 1.845 . . . . 0.0 111.949 -173.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.69 122.16 12.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -75.38 68.85 2.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.062 0.945 . . . . 0.0 109.819 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -148.05 116.75 6.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.85 135.69 41.58 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.294 0.638 . . . . 0.0 110.151 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.13 -58.08 4.84 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.4 t -78.21 49.94 0.87 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.749 0.819 . . . . 0.0 109.923 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -83.19 52.13 2.13 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.925 -1.109 . . . . 0.0 108.864 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.52 129.76 40.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -101.39 121.01 41.15 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -105.16 166.74 10.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.36 1.064 . . . . 0.0 111.925 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -67.59 -54.81 16.67 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.377 1.871 . . . . 0.0 112.945 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.8 p -126.47 155.83 41.64 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.37 -40.24 61.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.116 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.71 -27.72 69.46 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.172 0.896 . . . . 0.0 112.807 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -67.0 -46.99 72.86 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.99 -45.73 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.02 0.928 . . . . 0.0 109.462 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.03 -50.55 72.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.494 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -50.76 -52.97 35.6 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 119.321 0.964 . . . . 0.0 109.061 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -53.59 -54.01 43.6 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.626 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.4 -49.16 73.09 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.327 0.512 . . . . 0.0 110.963 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -54.63 -44.63 73.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.774 1.629 . . . . 0.0 110.27 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -74.87 -32.06 61.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 112.299 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -104.86 -78.13 0.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -174.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -75.79 -24.97 56.01 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 124.028 0.931 . . . . 0.0 113.235 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.328 -0.343 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 176.445 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.34 141.61 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.2 118.75 7.25 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.087 1.755 . . . . 0.0 110.775 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -50.05 -33.75 19.33 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.212 1.805 . . . . 0.0 113.197 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -70.79 76.18 0.62 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.723 0.809 . . . . 0.0 109.011 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.4 69.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.966 2.507 . . . . 0.0 113.58 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -172.28 -50.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 130.143 3.377 . . . . 0.0 104.862 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -83.32 72.42 10.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.73 53.89 0.22 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 127.132 2.301 . . . . 0.0 113.774 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.59 152.4 20.3 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.623 1.169 . . . . 0.0 108.057 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.94 144.52 22.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.319 -0.848 . . . . 0.0 108.979 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -148.21 148.68 30.79 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -34.96 -51.68 0.52 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.818 2.447 . . . . 0.0 116.717 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -123.04 155.59 36.57 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -54.53 -48.14 72.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.675 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 -58.71 -39.52 81.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.596 0.758 . . . . 0.0 110.065 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -48.73 76.38 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.34 -42.74 87.54 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.017 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.56 -45.7 84.83 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 119.322 0.965 . . . . 0.0 110.215 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.24 76.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.298 -0.251 . . . . 0.0 110.685 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -65.95 -55.71 15.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.661 174.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.39 -34.43 34.38 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 124.34 1.056 . . . . 0.0 112.267 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -52.26 -30.33 27.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.733 0.697 . . . . 0.0 111.282 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.53 -35.68 72.67 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.981 0.512 . . . . 0.0 110.629 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -90.36 -51.13 5.58 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.302 1.041 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 p -87.31 -24.46 24.3 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.13 10.09 77.59 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.88 143.5 37.7 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.664 1.232 . . . . 0.0 109.75 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -131.18 77.95 73.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -46.5 -27.29 4.96 Favored 'Trans proline' 0 C--N 1.345 0.393 1 C-N-CA 125.421 4.08 . . . . 0.0 119.009 -174.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.1 83.15 3.61 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 119.685 1.13 . . . . 0.0 111.715 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.78 141.61 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.186 1.924 . . . . 0.0 110.918 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.55 85.83 7.15 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -75.04 55.84 0.74 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.374 -0.829 . . . . 0.0 111.774 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -94.3 170.91 9.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.098 1.759 . . . . 0.0 109.854 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.51 113.67 7.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 -46.82 2.04 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.408 0.527 . . . . 0.0 113.571 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.8 t -75.66 57.78 1.02 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.788 1.235 . . . . 0.0 111.012 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -78.84 65.53 4.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.77 0.828 . . . . 0.0 110.496 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -73.36 162.51 29.25 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.27 104.59 0.82 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.844 -2.502 . . . . 0.0 106.844 176.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.74 140.92 34.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.202 1.001 . . . . 0.0 109.094 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -81.94 -12.1 58.55 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.694 -0.628 . . . . 0.0 112.487 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 p -148.06 155.7 41.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.385 0.993 . . . . 0.0 112.126 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.893 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -60.93 -46.0 92.42 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.719 -0.613 . . . . 0.0 110.348 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -56.81 -48.42 78.01 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.6 -42.35 74.7 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.27 0.628 . . . . 0.0 110.159 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.9 m -61.44 -54.67 40.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.119 0.568 . . . . 0.0 109.932 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -62.39 -38.25 88.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.004 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -58.36 -45.37 88.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.541 -0.724 . . . . 0.0 110.557 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 p -55.07 -22.02 14.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.73 -33.62 68.63 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.733 -0.604 . . . . 0.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 p -69.62 -33.15 72.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.087 0.403 . . . . 0.0 111.553 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -76.94 -50.32 13.53 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.4 p -68.96 -29.31 67.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.947 0.499 . . . . 0.0 111.515 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.29 23.07 59.48 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.538 1.066 . . . . 0.0 110.548 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.89 51.61 1.14 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.059 0.929 . . . . 0.0 112.215 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -79.37 62.71 3.79 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.658 1.983 . . . . 0.0 107.843 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -102.38 -1.47 30.8 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -172.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -75.73 84.79 2.73 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.747 1.158 . . . . 0.0 109.635 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -79.74 122.03 26.08 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.242 2.217 . . . . 0.0 110.71 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.91 115.96 4.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -74.33 74.87 1.87 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.3 t -149.42 112.67 4.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.08 131.9 23.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.671 0.789 . . . . 0.0 110.916 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.59 -56.31 4.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.8 t -77.76 44.81 0.47 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.841 1.256 . . . . 0.0 109.984 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -83.79 53.01 2.41 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 120.901 -1.124 . . . . 0.0 109.66 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.89 133.08 47.75 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -97.81 123.66 41.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 125.05 1.34 . . . . 0.0 108.879 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -112.98 158.46 20.23 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.836 0.855 . . . . 0.0 111.527 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -69.17 -42.92 75.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.838 1.255 . . . . 0.0 111.984 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.5 p -127.02 155.84 42.59 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 110.691 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -59.26 -40.93 87.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.47 98.61 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.795 -0.566 . . . . 0.0 110.809 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.07 -46.15 89.01 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.242 0.928 . . . . 0.0 109.224 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 52.7 ttp -55.03 -49.04 72.54 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.896 0.479 . . . . 0.0 109.921 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.04 -48.48 81.55 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.592 0.757 . . . . 0.0 110.414 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.42 -51.62 64.32 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 119.359 0.981 . . . . 0.0 109.386 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -54.94 -54.97 35.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.698 0.285 . . . . 0.0 110.308 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -52.77 -44.68 66.7 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.711 0.767 . . . . 0.0 109.557 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.41 -61.8 2.33 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -47.23 -48.93 24.16 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.102 1.361 . . . . 0.0 112.38 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -92.13 -23.74 19.33 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -173.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.73 -28.0 3.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.864 1.211 . . . . 0.0 113.695 -173.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 N--CA 1.464 0.253 0 CA-C-N 119.51 1.05 . . . . 0.0 108.631 177.6 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 102.903 -2.999 . . . . 0.0 102.903 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 14' ' ' ILE . 1.9 mp -103.98 145.11 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.997 0.919 . . . . 0.0 108.724 -176.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.56 114.41 6.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.362 1.065 . . . . 0.0 109.169 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -42.67 -38.79 2.16 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.722 2.009 . . . . 0.0 113.234 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.97 66.38 1.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.334 1.054 . . . . 0.0 108.982 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.13 -61.35 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 128.697 2.799 . . . . 0.0 115.071 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.95 -38.78 3.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.657 1.583 . . . . 0.0 112.951 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.8 t -56.7 -34.95 67.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.937 1.295 . . . . 0.0 112.066 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.09 60.32 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.361 0.981 . . . . 0.0 114.187 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.43 147.8 23.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.106 0.953 . . . . 0.0 108.918 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.89 151.03 17.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -151.31 155.76 39.39 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.606 0.639 . . . . 0.0 109.742 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -63.54 -62.91 1.36 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.482 0.658 . . . . 0.0 111.963 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -78.59 124.66 28.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.809 -173.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -46.99 -47.55 21.95 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.431 1.092 . . . . 0.0 111.774 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 17.5 p-90 -50.62 -42.53 56.27 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.259 0.624 . . . . 0.0 111.074 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -69.5 -45.18 69.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.92 -34.53 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.49 -48.76 71.48 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.042 -1.036 . . . . 0.0 108.95 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.97 -37.13 63.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.433 0.693 . . . . 0.0 109.914 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -69.26 -59.28 3.12 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 121.648 -0.657 . . . . 0.0 109.536 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 mt -47.4 -34.79 7.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.444 1.098 . . . . 0.0 112.647 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -46.25 -38.2 8.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.255 0.622 . . . . 0.0 111.729 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.58 -42.15 70.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.979 0.912 . . . . 0.0 111.745 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -91.37 -47.12 7.64 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.708 0.803 . . . . 0.0 111.819 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.5 p -85.16 -29.3 24.87 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 11.21 84.23 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -172.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -76.97 129.25 35.89 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.075 1.438 . . . . 0.0 109.515 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -131.84 79.41 67.95 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.62 -32.64 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 124.724 3.616 . . . . 0.0 117.185 -176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -114.77 77.01 4.44 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 118.89 0.768 . . . . 0.0 112.189 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.48 160.56 22.47 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.064 2.509 . . . . 0.0 108.337 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.2 t -82.15 -9.42 59.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.32 1.448 . . . . 0.0 113.209 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.32 -48.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.722 1.609 . . . . 0.0 114.571 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -43.07 140.36 1.48 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.885 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -55.9 127.85 32.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.56 -61.54 3.58 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.1 t -78.3 55.97 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.124 0.97 . . . . 0.0 109.76 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -81.63 -29.25 33.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.968 0.907 . . . . 0.0 110.108 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 42.1 -143.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.923 2.089 . . . . 0.0 112.833 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.6 94.31 0.1 OUTLIER Glycine 0 CA--C 1.521 0.417 0 N-CA-C 106.864 -2.494 . . . . 0.0 106.864 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.59 -1.22 30.75 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p 62.66 -25.7 0.06 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.02 2.23 . . . . 0.0 117.02 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -138.1 158.58 44.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.614 1.552 . . . . 0.0 109.245 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.7 -43.23 89.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -64.22 -42.81 96.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.103 -0.373 . . . . 0.0 110.817 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -56.66 -47.87 78.84 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.988 0.899 . . . . 0.0 108.641 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.01 -37.2 81.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.896 -0.503 . . . . 0.0 111.222 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.3 m -62.07 -50.33 72.41 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.3 -0.875 . . . . 0.0 109.408 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -61.23 -41.36 96.74 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.264 -0.974 . . . . 0.0 110.05 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -53.43 -46.36 69.79 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.796 0.725 . . . . 0.0 110.182 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -54.17 -24.11 16.9 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.4 mt -54.88 -32.33 60.76 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.131 0.878 . . . . 0.0 110.402 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -64.94 -31.73 73.1 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 117.822 0.283 . . . . 0.0 111.05 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -80.72 -48.82 12.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.842 0.857 . . . . 0.0 109.669 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -71.37 -23.81 61.97 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.41 68.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -79.86 55.35 2.06 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.875 0.845 . . . . 0.0 112.178 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -78.61 90.91 4.56 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.317 2.247 . . . . 0.0 106.507 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -131.79 -0.96 3.82 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -76.07 82.86 2.92 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 121.065 1.757 . . . . 0.0 109.42 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -76.72 108.98 10.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.527 1.931 . . . . 0.0 110.462 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.7 t -61.94 142.44 57.43 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -93.06 -96.92 0.14 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t 52.33 -147.03 0.47 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.995 0.918 . . . . 0.0 110.008 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.72 61.36 1.38 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.329 1.052 . . . . 0.0 109.918 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.27 35.55 85.1 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.805 0.716 . . . . 0.0 111.651 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -83.59 62.5 6.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.82 58.67 0.33 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.183 0.993 . . . . 0.0 113.326 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.96 117.35 26.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -87.74 100.27 12.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.366 1.466 . . . . 0.0 108.886 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -87.19 157.05 19.43 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.388 0.613 . . . . 0.0 111.055 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.8 p -71.7 -38.98 70.48 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.513 1.125 . . . . 0.0 111.517 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.6 p -132.96 155.51 48.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.181 0.515 . . . . 0.0 110.383 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -59.51 -39.85 85.18 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.47 99.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.857 -0.527 . . . . 0.0 110.952 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.96 -46.29 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.849 0.749 . . . . 0.0 109.349 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.5 ttp -54.97 -46.78 75.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.952 0.501 . . . . 0.0 110.423 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -62.68 -48.76 77.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.61 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -55.74 -47.84 76.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.636 1.107 . . . . 0.0 109.262 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -53.23 -53.32 52.41 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -55.41 -47.99 75.08 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.099 -0.375 . . . . 0.0 110.96 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -54.82 -45.25 74.4 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.765 1.626 . . . . 0.0 110.162 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -73.09 -38.37 66.42 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.879 0.872 . . . . 0.0 112.243 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -97.73 -74.49 0.57 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -75.65 -29.42 59.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.385 0.674 . . . . 0.0 112.575 -169.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--N 1.33 -0.276 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.122 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 101.0 -3.704 . . . . 0.0 101.0 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.05 142.62 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.448 0.699 . . . . 0.0 110.503 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.39 118.73 8.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.678 1.191 . . . . 0.0 110.102 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -46.92 -37.79 9.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.172 1.789 . . . . 0.0 113.103 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.18 64.84 1.47 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.499 1.12 . . . . 0.0 109.559 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -12.3 -67.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.316 3.047 . . . . 0.0 115.479 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.52 -37.95 2.68 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.842 1.657 . . . . 0.0 113.138 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -34.87 67.25 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.972 1.309 . . . . 0.0 111.948 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.03 30.6 54.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.868 1.223 . . . . 0.0 114.531 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.81 145.19 24.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.021 0.911 . . . . 0.0 108.714 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.15 147.07 24.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -149.1 147.21 28.22 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 118.273 0.488 . . . . 0.0 110.559 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -66.89 -46.39 75.06 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 125.573 1.549 . . . . 0.0 111.474 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -77.86 108.78 11.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -47.54 -44.7 26.15 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.862 1.265 . . . . 0.0 111.859 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -60.28 -34.68 74.09 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.179 0.992 . . . . 0.0 111.589 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -71.39 -41.49 69.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.4 -40.97 98.66 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 173.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.846 -1.159 . . . . 0.0 110.284 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -44.71 75.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -57.79 -53.64 55.88 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.557 -0.714 . . . . 0.0 110.109 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.5 -40.9 39.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 121.534 -0.729 . . . . 0.0 111.969 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 p -51.66 -31.6 26.26 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.622 0.646 . . . . 0.0 111.868 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -54.27 -43.34 70.93 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.584 0.629 . . . . 0.0 111.155 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -91.04 -51.36 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.993 0.917 . . . . 0.0 111.61 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 p -76.98 -31.2 56.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.023 1.329 . . . . 0.0 113.864 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.0 8.86 74.9 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -171.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.97 149.37 32.29 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 118.736 1.268 . . . . 0.0 111.024 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -134.09 77.92 60.41 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.542 1.137 . . . . 0.0 108.343 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.5 -26.18 5.98 Favored 'Trans proline' 0 C--N 1.346 0.403 1 C-N-CA 125.963 4.442 . . . . 0.0 119.171 -174.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -108.68 85.9 3.3 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 119.318 0.963 . . . . 0.0 111.236 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -74.01 145.66 35.91 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.005 1.804 . . . . 0.0 110.404 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.18 -24.23 43.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.92 0.888 . . . . 0.0 111.381 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt 65.43 -33.61 0.17 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -44.78 136.42 4.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.559 1.072 . . . . 0.0 112.093 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.27 126.03 13.89 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.053 0.941 . . . . 0.0 109.789 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.82 -58.6 3.86 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.4 t -77.26 45.05 0.44 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.346 1.458 . . . . 0.0 110.517 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -84.6 63.24 7.8 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.879 -1.138 . . . . 0.0 108.142 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.25 164.97 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.363 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.9 111.11 1.66 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -107.68 148.07 29.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.81 0.805 . . . . 0.0 110.402 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -88.1 -13.92 40.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.607 1.163 . . . . 0.0 112.649 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 p -149.15 152.57 36.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.989 0.813 . . . . 0.0 110.593 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.8 tp -58.43 -37.38 75.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -46.34 88.91 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.017 -0.427 . . . . 0.0 110.35 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -57.41 -47.57 81.37 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.14 -39.41 78.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.921 0.391 . . . . 0.0 110.647 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.3 m -60.06 -52.0 67.24 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.554 -0.716 . . . . 0.0 109.307 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 ptt-85 -64.19 -37.54 87.82 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.337 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -55.23 -43.28 74.4 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.376 -0.827 . . . . 0.0 109.427 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -56.8 -18.11 11.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.0 -35.86 71.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.662 1.119 . . . . 0.0 109.051 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 p -65.9 -33.57 76.14 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.339 0.256 . . . . 0.0 111.245 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -78.07 -49.71 13.44 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.903 0.881 . . . . 0.0 109.533 -177.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -69.52 -27.22 64.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.92 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.89 20.99 62.18 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.563 1.078 . . . . 0.0 110.513 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.25 47.67 0.93 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.285 1.04 . . . . 0.0 112.5 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -81.74 66.53 7.35 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -106.62 2.23 25.82 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -170.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -75.49 85.66 2.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 119.101 0.864 . . . . 0.0 109.377 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -78.76 120.84 23.99 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 127.003 2.121 . . . . 0.0 110.137 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.69 114.35 3.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -75.02 74.02 2.21 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 t -145.07 116.3 7.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.61 128.4 15.04 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.095 0.958 . . . . 0.0 111.006 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.02 -53.44 4.37 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.57 51.12 0.87 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.575 1.15 . . . . 0.0 110.067 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.66 53.22 2.3 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.003 -1.061 . . . . 0.0 109.511 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.84 128.36 36.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.5 0.72 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -94.42 129.68 41.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.299 1.04 . . . . 0.0 109.379 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -115.65 164.27 14.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.636 0.774 . . . . 0.0 111.585 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 p -69.12 -58.99 3.34 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.943 1.697 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.0 p -115.85 145.57 42.75 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.993 0.917 . . . . 0.0 110.057 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -44.93 -52.79 8.34 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.095 0.958 . . . . 0.0 110.819 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.83 -28.84 64.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.81 -44.21 77.81 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -61.66 -41.08 97.05 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.572 0.749 . . . . 0.0 109.669 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.63 -55.99 27.57 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.84 0.746 . . . . 0.0 109.143 176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -50.75 -52.31 41.88 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.457 0.703 . . . . 0.0 109.635 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -55.07 -55.04 35.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.678 0.217 . . . . 0.0 111.242 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -54.12 -44.97 71.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.575 0.703 . . . . 0.0 110.192 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.99 -63.71 1.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -48.78 -45.74 40.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.819 2.448 . . . . 0.0 113.504 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.24 -23.97 15.91 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.157 1.539 . . . . 0.0 115.157 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.19 -48.41 1.2 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.979 1.263 . . . . 0.0 113.781 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 CA-C-N 119.031 0.832 . . . . 0.0 112.04 -173.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 mt -105.75 132.46 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 111.071 -176.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.0 t -57.38 130.94 48.51 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 110.735 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 p -69.72 -68.67 0.4 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.824 1.65 . . . . 0.0 112.674 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -19.23 102.6 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 128.168 2.587 . . . . 0.0 114.802 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.33 36.64 2.39 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.036 1.334 . . . . 0.0 113.279 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 58.93 38.9 24.26 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.578 1.151 . . . . 0.0 111.572 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -42.56 -40.28 2.61 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.292 1.437 . . . . 0.0 112.055 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.45 10.71 86.08 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 113.901 0.32 . . . . 0.0 113.901 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.6 103.79 6.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.6 136.77 44.57 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.11 0.964 . . . . 0.0 111.552 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.06 152.58 46.3 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.329 0.652 . . . . 0.0 110.988 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -78.56 -46.91 18.34 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.273 1.029 . . . . 0.0 111.575 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -88.35 136.91 32.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 121.937 -0.477 . . . . 0.0 110.328 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.86 -46.54 84.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.583 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.1 p-90 -55.17 -38.8 68.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.658 0.783 . . . . 0.0 111.384 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -64.76 -47.64 77.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.78 -40.36 92.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.117 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -58.21 -47.25 84.05 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 119.59 1.086 . . . . 0.0 109.927 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.66 77.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -60.01 -55.74 30.3 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.811 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.09 -33.01 50.26 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.864 0.866 . . . . 0.0 111.68 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 p -55.44 -30.03 59.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.058 0.845 . . . . 0.0 111.25 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -36.71 78.14 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.87 0.468 . . . . 0.0 110.882 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -90.63 -50.33 5.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.365 0.666 . . . . 0.0 111.076 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -79.39 -33.83 42.4 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.51 88.08 Favored Glycine 0 CA--C 1.537 1.437 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -171.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.86 139.7 37.05 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.957 1.378 . . . . 0.0 110.658 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -129.7 82.68 66.47 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 124.483 1.113 . . . . 0.0 108.079 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.22 -22.45 11.29 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.699 4.266 . . . . 0.0 118.484 -174.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.53 79.26 0.98 Allowed Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 119.247 0.931 . . . . 0.0 110.362 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.95 155.68 52.85 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.562 1.508 . . . . 0.0 108.954 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -81.85 147.98 29.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.24 142.69 34.38 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.725 0.693 . . . . 0.0 110.364 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.03 134.76 56.64 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -59.17 3.88 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.93 61.76 2.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.557 1.143 . . . . 0.0 108.836 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -83.08 -27.46 30.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.009 1.324 . . . . 0.0 109.908 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 43.82 -134.01 0.59 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.887 1.675 . . . . 0.0 111.701 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.46 99.69 0.14 Allowed Glycine 0 CA--C 1.521 0.437 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -111.76 155.57 23.3 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.728 0.764 . . . . 0.0 109.589 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -103.42 -2.89 26.22 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.841 0.856 . . . . 0.0 113.303 -176.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -155.49 155.35 33.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.104 0.865 . . . . 0.0 111.158 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.0 -42.07 93.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.064 176.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -57.98 -50.4 73.53 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -43.84 97.27 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.68 -45.02 93.34 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.968 0.507 . . . . 0.0 109.89 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 50.7 m -60.13 -48.8 80.2 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -57.33 -47.6 81.12 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -55.79 -45.69 78.14 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.143 -0.973 . . . . 0.0 110.03 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -57.67 -17.51 15.32 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.36 -35.35 67.56 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.348 0.976 . . . . 0.0 109.233 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.0 p -64.55 -35.55 81.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.851 0.46 . . . . 0.0 111.376 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.39 -50.09 12.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.923 0.889 . . . . 0.0 109.63 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -65.6 -25.79 67.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.379 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.91 33.19 57.91 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -79.38 47.95 0.86 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.906 0.86 . . . . 0.0 111.804 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -82.46 67.86 8.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.17 7.26 6.52 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -77.14 84.22 3.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 m -77.24 116.12 17.59 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.423 1.889 . . . . 0.0 110.335 -174.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.77 116.3 3.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 174.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.59 71.12 1.86 Allowed 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.892 0.477 . . . . 0.0 110.467 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -149.01 116.67 6.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.77 138.67 18.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 110.26 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.27 -59.82 4.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.41 47.77 0.72 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.892 0.877 . . . . 0.0 110.177 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -82.63 54.37 2.63 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -73.0 124.84 26.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.782 0.833 . . . . 0.0 109.447 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -93.82 110.09 21.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.546 1.138 . . . . 0.0 109.988 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.22 161.17 14.37 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.105 0.562 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 p -69.87 -55.37 9.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 125.308 1.443 . . . . 0.0 111.207 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 p -112.04 154.93 24.63 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.353 0.661 . . . . 0.0 109.61 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -56.27 -44.23 79.55 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.04 83.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.894 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.33 -44.4 95.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.678 1.126 . . . . 0.0 109.212 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.03 -46.84 84.65 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.015 0.526 . . . . 0.0 109.945 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.15 -50.11 75.31 Favored 'General case' 0 CA--C 1.528 0.114 0 O-C-N 121.625 -0.672 . . . . 0.0 110.161 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -55.8 -45.19 78.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.944 0.793 . . . . 0.0 109.569 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -56.54 -52.09 66.08 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -55.55 -46.43 77.11 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.968 -0.457 . . . . 0.0 110.907 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.05 -46.4 78.93 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.671 1.588 . . . . 0.0 110.267 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.34 -38.98 71.62 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -100.31 -70.57 0.73 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -75.06 -33.19 61.68 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -170.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.969 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -109.79 142.69 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.571 0.748 . . . . 0.0 109.927 -176.133 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.18 118.11 8.12 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.379 1.072 . . . . 0.0 109.797 178.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.19 -40.51 3.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.724 2.009 . . . . 0.0 112.769 -179.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -75.29 65.37 1.61 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.708 1.203 . . . . 0.0 109.01 178.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.26 -60.52 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 128.964 2.906 . . . . 0.0 115.13 -176.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.63 -38.17 2.91 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.773 1.629 . . . . 0.0 112.914 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -55.7 -35.47 66.11 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.51 23.44 62.68 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.016 0.817 . . . . 0.0 113.904 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.25 140.92 29.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.151 0.976 . . . . 0.0 109.008 178.269 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.5 144.65 20.83 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -151.61 145.45 25.11 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.395 0.543 . . . . 0.0 109.795 179.06 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.05 -56.28 8.21 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 122.693 1.235 . . . . 0.0 112.224 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.12 79.43 1.75 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.206 -174.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -11.91 -60.35 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 129.929 3.292 . . . . 0.0 115.283 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 33.5 p-90 -44.14 -39.39 4.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.923 1.289 . . . . 0.0 112.563 -179.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.08 -40.06 94.09 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.75 1.22 . . . . 0.0 110.198 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.13 -41.68 63.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.876 0.87 . . . . 0.0 108.837 177.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -54.66 -50.21 68.75 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.51 64.91 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.877 -0.582 . . . . 0.0 109.63 177.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -46.25 -49.87 16.71 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.834 0.743 . . . . 0.0 111.257 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -53.15 -26.37 16.75 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -54.79 -33.31 61.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.301 0.955 . . . . 0.0 110.909 177.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -52.69 -45.59 66.91 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.662 0.785 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.34 -46.84 7.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.704 0.802 . . . . 0.0 112.041 -175.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.4 p -83.56 -27.88 28.97 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -173.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.9 10.2 83.7 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -172.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.94 158.88 29.17 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.658 1.229 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -133.02 76.45 70.09 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -44.81 -27.55 2.48 Favored 'Trans proline' 0 CA--C 1.532 0.414 1 C-N-CA 126.449 4.766 . . . . 0.0 118.922 -174.303 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.76 86.71 5.99 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.541 1.064 . . . . 0.0 111.432 -175.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -70.71 146.06 53.33 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.494 2.129 . . . . 0.0 110.82 178.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.37 -18.39 42.22 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.049 0.94 . . . . 0.0 112.102 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt 67.82 -44.84 0.49 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.703 2.001 . . . . 0.0 115.755 176.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -40.49 134.41 1.74 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.813 1.245 . . . . 0.0 113.222 -176.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -56.26 133.44 52.57 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.31 -62.38 3.42 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.06 46.25 0.58 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.841 1.256 . . . . 0.0 110.156 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -84.29 59.76 5.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -67.25 167.43 12.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.67 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.71 113.71 1.74 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 106.124 -2.79 . . . . 0.0 106.124 175.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.04 144.86 30.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.686 0.794 . . . . 0.0 109.729 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -81.9 -20.78 38.08 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.689 0.795 . . . . 0.0 112.448 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 p -141.65 155.48 45.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.917 0.78 . . . . 0.0 110.864 178.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.47 -41.99 91.03 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.592 175.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.56 89.47 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 122.005 -0.434 . . . . 0.0 110.746 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -58.99 -48.27 82.19 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.19 -42.93 87.2 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.215 0.531 . . . . 0.0 110.187 177.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.0 m -57.07 -53.33 59.28 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -65.32 -36.82 85.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.386 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.8 -42.07 71.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.045 0.839 . . . . 0.0 109.559 176.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m -54.94 -19.91 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.6 -35.87 73.11 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.024 -1.047 . . . . 0.0 109.622 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.1 p -65.2 -32.56 74.3 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.813 0.279 . . . . 0.0 110.937 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -79.58 -52.24 8.26 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 124.004 0.922 . . . . 0.0 110.023 -178.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -66.65 -30.43 70.69 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.42 20.77 63.58 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.36 0.981 . . . . 0.0 111.431 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -78.78 52.74 1.26 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.23 1.015 . . . . 0.0 111.717 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -79.61 63.69 4.27 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.044 2.137 . . . . 0.0 105.947 177.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -98.6 -9.36 24.91 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -74.13 93.85 2.35 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -175.225 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -90.46 127.42 36.21 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.41 1.884 . . . . 0.0 110.898 -175.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.09 114.27 3.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.343 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.15 74.07 1.76 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 t -148.32 113.22 5.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.3 132.63 24.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.695 0.798 . . . . 0.0 110.796 -177.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.66 -57.03 4.93 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 -177.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.87 44.94 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.543 1.137 . . . . 0.0 110.1 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.43 53.11 2.4 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 120.936 -1.103 . . . . 0.0 109.578 -179.437 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 138.85 52.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -100.52 143.75 30.33 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.88 0.872 . . . . 0.0 108.896 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -131.77 158.84 40.17 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.147 0.579 . . . . 0.0 111.296 -178.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -57.39 9.15 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.687 1.595 . . . . 0.0 112.694 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.0 p -118.65 157.53 27.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.198 0.908 . . . . 0.0 109.108 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -52.3 -43.05 64.27 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.49 -27.31 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.578 -0.701 . . . . 0.0 112.614 -178.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -64.53 -48.3 75.6 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 ttp -56.48 -48.32 77.36 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.581 0.752 . . . . 0.0 109.291 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -57.91 -52.13 66.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.984 0.514 . . . . 0.0 110.065 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -51.84 -54.64 26.65 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 118.844 0.747 . . . . 0.0 109.656 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -54.8 -54.39 42.85 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.889 0.313 . . . . 0.0 110.583 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -53.96 -45.18 71.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.504 0.668 . . . . 0.0 109.673 -177.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -60.02 -62.43 1.87 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.39 0.614 . . . . 0.0 109.467 178.021 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.64 -45.07 18.93 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.1 2.16 . . . . 0.0 112.426 -179.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -96.15 -25.97 15.65 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -123.6 -24.12 4.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.832 1.196 . . . . 0.0 113.859 -172.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.0 t30 . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.068 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mt -94.17 145.58 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.245 1.418 . . . . 0.0 111.485 -174.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -56.16 128.52 35.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.441 1.897 . . . . 0.0 110.312 176.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.91 -44.28 4.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.536 1.934 . . . . 0.0 112.248 -179.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -76.57 64.46 2.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.299 1.04 . . . . 0.0 108.9 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.07 -61.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 128.987 2.915 . . . . 0.0 115.295 -176.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -42.44 -38.11 1.8 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.0 1.72 . . . . 0.0 113.006 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -52.34 -37.03 55.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.26 1.424 . . . . 0.0 112.197 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.0 13.15 56.93 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 123.808 0.718 . . . . 0.0 114.62 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.43 136.71 36.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.79 140.21 24.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.735 -1.126 . . . . 0.0 108.686 -178.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -144.01 -16.99 0.59 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 -173.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.32 -49.47 0.67 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.829 1.649 . . . . 0.0 113.462 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -75.03 110.4 9.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.79 -52.96 10.35 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.357 0.663 . . . . 0.0 111.848 -177.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -53.31 -42.08 66.3 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.354 0.525 . . . . 0.0 111.4 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -46.77 70.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.047 0.939 . . . . 0.0 109.569 -176.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -46.43 80.8 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 109.847 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.59 -45.68 84.97 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.736 0.814 . . . . 0.0 109.377 176.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -53.52 56.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -48.84 -53.08 20.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.711 0.687 . . . . 0.0 110.271 175.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -55.06 -21.25 11.85 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.205 -0.902 . . . . 0.0 113.138 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -55.04 -35.67 64.72 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.184 1.357 . . . . 0.0 110.949 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -62.22 -37.11 84.13 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.471 0.578 . . . . 0.0 112.24 178.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -84.96 -46.66 11.02 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.846 0.355 . . . . 0.0 111.455 -178.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.0 p -87.82 -28.9 21.35 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -172.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 8.42 87.84 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -172.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -78.1 148.67 34.1 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.777 1.289 . . . . 0.0 111.32 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -134.37 76.77 61.56 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -48.22 -25.75 7.31 Favored 'Trans proline' 0 N--CA 1.459 -0.502 1 C-N-CA 125.328 4.019 . . . . 0.0 118.762 -173.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -114.46 81.18 6.59 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 119.47 1.032 . . . . 0.0 111.722 -174.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.07 148.59 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.147 1.898 . . . . 0.0 110.941 178.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 -25.51 37.92 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.205 0.602 . . . . 0.0 110.692 178.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.08 -39.71 0.4 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.61 1.964 . . . . 0.0 115.532 176.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -42.06 136.64 2.09 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.972 1.309 . . . . 0.0 112.632 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -52.42 132.66 34.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.062 0.945 . . . . 0.0 109.281 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.2 -62.93 3.33 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -78.41 49.09 0.82 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.905 0.882 . . . . 0.0 110.897 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -82.65 60.7 5.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -69.01 163.91 23.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.589 0.756 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 104.32 0.72 Allowed Glycine 0 C--N 1.335 0.513 0 N-CA-C 107.354 -2.299 . . . . 0.0 107.354 175.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.94 149.23 23.17 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 118.524 1.162 . . . . 0.0 109.628 178.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -89.22 -7.71 54.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.091 0.956 . . . . 0.0 112.867 -178.17 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.2 p -152.19 150.84 30.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.268 0.94 . . . . 0.0 110.846 176.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.83 -39.13 76.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -47.29 84.62 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.162 -0.336 . . . . 0.0 110.233 179.654 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -58.05 -46.61 85.1 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.75 -42.2 75.07 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.823 0.344 . . . . 0.0 110.16 177.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 m -58.4 -53.19 61.07 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.98 0.512 . . . . 0.0 109.897 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.587 -1.245 . . . . 0.0 110.923 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.32 -42.28 73.55 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.499 -0.751 . . . . 0.0 109.971 176.346 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 m -55.34 -19.5 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.17 -35.22 69.29 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.923 0.783 . . . . 0.0 109.44 174.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -67.07 -35.19 79.29 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.896 0.478 . . . . 0.0 111.693 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -76.77 -47.59 21.23 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 p -66.93 -26.28 66.77 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.761 178.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.05 25.81 56.9 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 -177.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.03 49.2 1.2 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.867 0.867 . . . . 0.0 111.552 -178.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -81.46 69.69 8.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -118.69 6.17 11.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -169.759 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -77.03 82.03 3.55 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 119.661 1.118 . . . . 0.0 108.557 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -77.66 117.01 18.66 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 126.278 1.831 . . . . 0.0 110.652 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.39 114.09 2.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.74 70.73 1.9 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.946 0.498 . . . . 0.0 110.375 -177.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 t -146.62 117.33 7.59 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.298 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.84 138.49 18.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.257 0.623 . . . . 0.0 110.201 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.07 -59.95 4.49 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -177.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.43 49.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.578 0.751 . . . . 0.0 110.263 177.672 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.57 53.6 2.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.101 -0.999 . . . . 0.0 109.051 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.0 mt -71.16 125.71 27.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.624 0.77 . . . . 0.0 109.321 -178.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -92.83 114.41 26.96 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.806 1.243 . . . . 0.0 109.487 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -100.81 162.45 12.9 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.613 0.765 . . . . 0.0 110.887 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 p -76.0 -30.51 58.55 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.236 1.415 . . . . 0.0 112.668 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 p -141.26 156.37 45.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.135 0.879 . . . . 0.0 109.578 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.16 -43.35 87.39 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.87 88.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.654 -0.653 . . . . 0.0 111.414 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.7 -46.16 89.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.199 0.909 . . . . 0.0 109.699 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 ttp -56.12 -46.08 79.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.909 0.484 . . . . 0.0 110.379 176.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.54 -46.39 86.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.316 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -55.87 -48.51 75.42 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 119.767 1.167 . . . . 0.0 108.991 176.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -53.92 -53.05 58.04 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.45 -49.04 68.24 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.07 -0.394 . . . . 0.0 110.904 -179.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -55.94 -45.06 78.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.775 1.63 . . . . 0.0 110.532 177.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.9 -27.62 61.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.559 1.143 . . . . 0.0 112.824 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -114.14 -68.61 0.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -173.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -76.72 -27.9 55.63 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.656 -0.652 . . . . 0.0 112.531 -170.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.482 0 O4'-C1'-N19 110.651 3.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.14 1 O4'-C1'-N19 111.396 4.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.905 5.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 P-O3'-C3' 123.853 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 113.205 6.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C1'-N19 109.562 2.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 0 N19-C1'-C2' 109.968 -2.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 2 O4'-C1'-N19 112.655 6.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.665 0 P-O3'-C3' 122.752 2.543 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.491 1 O4'-C1'-N19 112.12 5.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.706 0 P-O3'-C3' 123.077 2.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.879 0 O4'-C1'-C2' 102.574 -3.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 0 C1'-O4'-C4' 105.605 -2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-N19 110.729 3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.917 1 O4'-C1'-N19 112.222 5.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.051 0 O4'-C1'-N19 110.972 3.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 P-O3'-C3' 123.105 2.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 O4'-C1'-C2' 102.84 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 1 O4'-C1'-N19 111.95 5.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-C2' 102.938 -2.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.763 1 O4'-C1'-N19 113.545 7.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.78 1 O4'-C1'-N19 113.195 6.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 0 O4'-C4'-C3' 108.37 2.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.559 0 O4'-C4'-C3' 108.19 2.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 1 O4'-C1'-N19 111.921 5.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.63 0 O4'-C1'-N19 110.155 2.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.889 1 O4'-C1'-N19 111.493 4.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 O4'-C4'-C3' 108.312 2.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.312 0 P-O3'-C3' 122.622 2.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.0 mtp . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.358 0.123 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -71.22 86.83 0.79 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.3 1.04 . . . . 0.0 110.467 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -63.02 128.71 37.14 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -77.47 126.94 31.7 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mt -90.7 143.61 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.592 0.757 . . . . 0.0 111.683 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -61.57 124.59 21.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.576 1.551 . . . . 0.0 110.332 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -42.77 -43.09 3.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.928 2.091 . . . . 0.0 112.828 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -75.71 63.23 1.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.277 1.031 . . . . 0.0 109.571 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.92 -65.29 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.153 2.981 . . . . 0.0 115.561 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.25 -37.25 2.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.964 1.705 . . . . 0.0 113.104 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.9 t -53.39 -35.89 60.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.316 1.446 . . . . 0.0 111.991 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.2 58.85 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.07 0.843 . . . . 0.0 114.739 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 142.74 31.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.599 1.2 . . . . 0.0 108.464 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.14 139.06 17.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.164 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -151.08 135.86 17.25 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -31.9 66.07 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.114 -0.991 . . . . 0.0 110.722 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -76.75 119.02 19.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -53.76 -48.35 69.81 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.126 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -52.39 -44.64 65.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.948 0.899 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -50.58 73.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.55 -35.9 79.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.861 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.41 -49.53 75.14 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 119.534 1.061 . . . . 0.0 109.102 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.22 74.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.617 0.367 . . . . 0.0 110.76 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -63.55 -60.34 3.47 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.839 -0.538 . . . . 0.0 109.823 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.56 -34.82 38.42 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.503 1.121 . . . . 0.0 112.274 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -52.73 -32.92 45.61 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.865 0.757 . . . . 0.0 111.321 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.42 -35.55 77.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.641 0.376 . . . . 0.0 111.601 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.13 -50.06 6.21 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.189 0.596 . . . . 0.0 110.955 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -82.1 -30.82 31.03 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.035 1.334 . . . . 0.0 114.517 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.48 7.99 87.09 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.38 144.4 35.98 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.927 1.363 . . . . 0.0 110.641 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -134.1 77.39 61.7 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 124.573 1.149 . . . . 0.0 108.57 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -47.86 -26.08 6.8 Favored 'Trans proline' 0 CA--C 1.533 0.459 1 C-N-CA 125.71 4.274 . . . . 0.0 119.23 -174.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -112.36 78.8 2.7 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 119.909 1.232 . . . . 0.0 111.68 -175.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -75.79 150.82 35.36 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.434 2.089 . . . . 0.0 111.978 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.23 -21.38 50.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.225 1.01 . . . . 0.0 111.309 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt 70.29 -47.0 0.62 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.642 1.977 . . . . 0.0 114.086 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -40.01 133.78 1.62 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.489 1.515 . . . . 0.0 113.158 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -55.63 138.16 47.7 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.715 0.806 . . . . 0.0 108.887 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.89 -65.86 2.87 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.94 50.45 1.02 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.63 0.715 . . . . 0.0 110.593 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.07 59.77 4.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -69.43 158.4 35.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.579 0.751 . . . . 0.0 109.4 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 98.74 0.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -88.73 143.47 26.9 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 p -90.4 -2.42 57.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.653 -0.654 . . . . 0.0 111.834 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -154.94 150.3 27.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 122.014 -0.429 . . . . 0.0 110.059 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 58' ' ' HIS . 2.5 tm? -74.12 164.34 26.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.592 ' N ' HD13 ' A' ' 57' ' ' LEU 0.32 1.7 t60 74.48 -40.41 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.772 1.629 . . . . 0.0 112.427 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -59.41 -36.28 75.56 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 169.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.83 -43.7 98.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.364 1.066 . . . . 0.0 109.327 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -63.36 -48.03 79.63 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.116 -0.99 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -61.7 -40.15 93.99 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.373 0.988 . . . . 0.0 108.879 176.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -43.59 77.07 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.673 0.67 . . . . 0.0 109.208 173.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.0 m -54.57 -20.85 8.75 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.44 -34.55 69.08 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.119 0.872 . . . . 0.0 109.514 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.5 p -68.42 -33.87 74.98 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.304 0.641 . . . . 0.0 111.857 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -76.62 -47.55 21.95 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.9 p -69.08 -25.53 64.48 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.311 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.84 27.19 59.09 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -79.79 62.21 3.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.516 0.727 . . . . 0.0 111.949 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -75.91 117.21 17.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -145.97 -18.39 0.45 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -171.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.45 88.88 2.65 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.573 1.079 . . . . 0.0 109.006 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.6 m -77.87 118.91 20.65 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.485 1.914 . . . . 0.0 110.893 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.87 117.25 4.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.59 74.98 2.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t -149.86 113.32 4.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.54 131.78 25.17 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.709 0.804 . . . . 0.0 110.915 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.51 -56.21 4.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.69 44.26 0.44 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.02 1.328 . . . . 0.0 109.907 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.54 52.85 2.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 120.866 -1.146 . . . . 0.0 109.566 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.81 131.68 44.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -97.08 123.65 40.88 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.742 1.217 . . . . 0.0 109.149 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -109.64 161.07 15.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 0.0 111.391 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -71.98 -36.35 69.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.301 1.44 . . . . 0.0 112.718 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.6 p -135.72 158.05 45.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.529 0.604 . . . . 0.0 110.247 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -56.56 -44.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.71 97.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.83 -0.544 . . . . 0.0 111.208 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -61.41 -44.25 97.45 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.305 0.957 . . . . 0.0 109.443 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.23 -48.06 74.47 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -59.27 -51.23 70.84 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.571 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -51.09 -52.35 44.42 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 119.432 1.015 . . . . 0.0 109.413 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -56.05 -54.23 47.51 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.873 0.306 . . . . 0.0 110.18 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.06 -43.42 63.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.558 0.694 . . . . 0.0 110.426 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -65.0 -64.8 0.78 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.629 0.772 . . . . 0.0 109.093 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -45.68 -38.77 7.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.084 2.154 . . . . 0.0 113.235 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -102.74 -19.41 14.75 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -134.08 -64.48 0.69 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 120.237 1.38 . . . . 0.0 109.918 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.72 61.67 3.76 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 121.466 0.651 . . . . 0.0 110.893 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.09 -36.62 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm . . . . . 0 CA--C 1.532 0.251 0 O-C-N 121.852 -0.53 . . . . 0.0 109.601 177.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.609 0 O4'-C1'-N19 110.903 3.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.225 0 P-O3'-C3' 122.936 2.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.758 4.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 P-O3'-C3' 123.679 3.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.578 1 O4'-C1'-N19 111.916 5.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.508 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 0 O4'-C1'-N19 110.491 3.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.628 1 O4'-C1'-N19 111.974 5.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . 0.455 " H2'" ' CE ' ' A' ' 29' ' ' LYS . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.558 4.697 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.518 0 P-O3'-C3' 122.946 2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.553 0 O4'-C1'-N19 110.653 3.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.684 0 P-O3'-C3' 122.865 2.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.56 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 P-O3'-C3' 123.594 3.245 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.197 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.855 1 O4'-C1'-N19 111.164 4.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 109.931 2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 0 P-O3'-C3' 124.07 3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 P-O3'-C3' 122.858 2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.952 1 O4'-C1'-N19 111.139 4.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 1 O4'-C1'-N19 114.546 8.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.922 1 O4'-C1'-N19 112.739 6.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 0 O4'-C4'-C3' 108.317 2.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.678 0 O4'-C1'-C2' 103.416 -2.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 1 O4'-C1'-N19 111.725 4.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 0 O4'-C1'-C2' 102.927 -2.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.072 1 O4'-C1'-N19 111.268 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 0 O4'-C4'-C3' 108.231 2.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.196 0 P-O3'-C3' 122.67 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.673 0.273 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -71.38 100.09 2.11 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.317 0.647 . . . . 0.0 110.954 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -69.61 148.62 49.12 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 173.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -79.27 134.4 36.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 172.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.17 142.4 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.923 0.889 . . . . 0.0 109.872 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -62.83 123.19 17.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.636 1.174 . . . . 0.0 109.227 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 p -52.09 -36.78 51.93 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.608 1.563 . . . . 0.0 112.609 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.95 65.3 1.41 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.98 . . . . 0.0 109.701 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.72 -65.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.305 3.042 . . . . 0.0 115.283 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.64 -38.22 2.96 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.84 1.656 . . . . 0.0 113.012 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 t -56.99 -34.86 68.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.122 1.369 . . . . 0.0 112.068 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.04 29.52 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.558 1.075 . . . . 0.0 114.35 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.89 144.3 25.83 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.134 0.967 . . . . 0.0 109.042 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.58 144.96 20.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -151.12 152.77 33.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -82.48 -40.04 21.65 Favored 'General case' 0 C--O 1.227 -0.094 0 O-C-N 121.902 -0.499 . . . . 0.0 112.038 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -73.89 118.48 16.9 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -46.67 -54.38 9.7 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.432 1.093 . . . . 0.0 110.592 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 p-90 -52.08 -40.34 61.07 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.895 0.878 . . . . 0.0 110.93 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' CE ' " H2'" ' E' ' 9' ' ' ' DG' . 9.6 tptp -69.25 -48.71 61.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.929 -0.482 . . . . 0.0 109.744 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.41 -37.52 81.12 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.099 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -59.65 -47.9 83.8 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.875 1.216 . . . . 0.0 109.545 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.99 -37.29 66.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.127 0.571 . . . . 0.0 110.345 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -67.71 -56.39 9.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.4 mt -48.0 -36.96 13.67 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 112.056 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 p -50.56 -34.07 24.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.049 0.386 . . . . 0.0 112.038 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -51.96 -43.16 63.39 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.793 0.837 . . . . 0.0 110.888 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -92.35 -49.33 6.21 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.873 0.869 . . . . 0.0 111.801 -177.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -81.76 -28.02 33.48 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.12 10.59 86.17 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -77.43 129.4 35.71 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.91 1.355 . . . . 0.0 109.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -128.22 82.21 68.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -48.34 -25.56 7.37 Favored 'Trans proline' 0 C--N 1.347 0.489 1 C-N-CA 125.525 4.15 . . . . 0.0 118.125 -174.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.59 81.57 3.31 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 119.162 0.892 . . . . 0.0 111.092 -176.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.59 154.04 39.49 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.755 2.303 . . . . 0.0 110.504 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.46 -24.36 34.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.927 0.891 . . . . 0.0 111.178 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? 68.18 -35.36 0.28 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.44 1.896 . . . . 0.0 115.813 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -45.85 137.92 5.24 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.918 0.887 . . . . 0.0 112.216 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -57.09 132.98 54.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -62.83 3.31 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.5 t -78.05 47.67 0.67 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.424 1.09 . . . . 0.0 110.353 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.2 60.88 6.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.4 162.45 22.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.84 110.99 1.38 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 107.609 -2.197 . . . . 0.0 107.609 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -112.46 152.83 28.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.672 0.789 . . . . 0.0 109.544 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -88.35 -17.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -142.55 158.85 43.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.45 -34.84 77.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -45.9 65.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.866 0.867 . . . . 0.0 108.792 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -58.48 -46.43 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.11 -41.3 87.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.438 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.2 m -60.36 -51.62 68.75 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.399 -0.813 . . . . 0.0 110.724 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -56.34 -37.2 69.66 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.029 0.832 . . . . 0.0 110.848 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -64.72 -48.8 73.31 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.985 -0.447 . . . . 0.0 110.238 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -51.52 -30.43 20.37 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.162 0.985 . . . . 0.0 112.259 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -49.64 -32.93 14.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.256 0.48 . . . . 0.0 111.636 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.2 p -64.34 -30.72 71.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.596 0.358 . . . . 0.0 111.503 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.81 -48.53 14.6 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.165 0.986 . . . . 0.0 109.515 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -71.83 -24.97 61.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.051 0.54 . . . . 0.0 110.907 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 35.77 41.01 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.0 51.35 1.13 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.821 0.819 . . . . 0.0 111.537 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -81.03 62.53 5.04 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.953 1.701 . . . . 0.0 107.506 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -118.46 3.66 11.82 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -76.13 87.16 3.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.923 1.238 . . . . 0.0 108.22 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.5 m -77.35 118.14 19.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.489 1.916 . . . . 0.0 111.161 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -60.89 117.42 5.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.53 74.29 1.96 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -149.26 112.77 5.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.03 131.3 22.99 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.82 0.848 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.33 -55.76 4.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.1 t -77.72 44.99 0.48 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.911 1.284 . . . . 0.0 109.926 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -83.84 52.28 2.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 120.813 -1.179 . . . . 0.0 109.593 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.26 134.11 49.88 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -103.28 112.59 25.53 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 124.152 0.981 . . . . 0.0 109.033 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -96.33 161.95 13.71 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.939 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -50.68 28.1 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 126.238 1.815 . . . . 0.0 111.687 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.1 p -117.91 155.66 29.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.707 0.685 . . . . 0.0 109.765 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.49 -40.8 79.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.13 93.13 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.761 -0.587 . . . . 0.0 111.123 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.28 -44.76 96.69 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.084 0.856 . . . . 0.0 108.701 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.9 ttp -55.71 -50.95 68.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -58.47 -48.48 80.63 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 123.109 0.564 . . . . 0.0 111.016 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -53.88 -52.78 59.39 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 119.103 0.865 . . . . 0.0 109.365 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -55.42 -54.68 40.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.566 0.222 . . . . 0.0 110.425 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -53.53 -43.4 68.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.83 0.824 . . . . 0.0 109.681 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -60.34 -61.93 2.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -48.16 -51.01 26.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.596 1.159 . . . . 0.0 112.558 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.98 -24.71 22.34 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 115.311 1.596 . . . . 0.0 115.311 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -123.87 -34.04 3.06 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.718 1.145 . . . . 0.0 113.274 -173.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -79.33 -66.43 0.87 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.557 1.071 . . . . 0.0 108.389 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.7 pt -90.61 16.53 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.17 0.588 . . . . 0.0 111.801 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 CA--C 1.531 0.214 0 C-N-CA 124.19 0.996 . . . . 0.0 111.837 177.813 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.192 0 P-O3'-C3' 122.727 2.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 0 O4'-C1'-N19 110.618 3.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 P-O3'-C3' 123.001 2.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.563 1 O4'-C1'-N19 111.758 4.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 O4'-C1'-N19 110.251 3.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 0 N19-C1'-C2' 110.223 -2.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 0 O4'-C1'-C2' 102.876 -2.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.455 1 O4'-C1'-N19 113.207 6.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.778 0 P-O3'-C3' 123.981 3.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.583 1 O4'-C1'-N19 112.042 5.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O4'-C1'-N19 109.728 2.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.851 1 O4'-C1'-N19 112.101 5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.279 0 P-O3'-C3' 122.762 2.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 1 O4'-C1'-N19 111.523 4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.678 0 O4'-C1'-N19 110.356 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 P-O3'-C3' 123.267 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 O4'-C1'-C2' 102.989 -2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.776 1 O4'-C1'-N19 112.452 5.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 P-O3'-C3' 123.198 2.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 112.131 5.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.798 1 O4'-C1'-N19 112.789 6.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C4'-C3' 108.285 2.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 P-O3'-C3' 122.906 2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.735 1 O4'-C1'-N19 111.877 5.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-C2' 103.403 -2.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 1 O4'-C1'-N19 111.822 5.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C4'-C3' 108.154 2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-N19 110.21 3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -85.59 94.36 9.03 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -50.04 119.84 3.93 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.066 0.546 . . . . 0.0 110.784 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -76.2 130.07 37.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -91.79 143.81 10.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.566 0.746 . . . . 0.0 111.768 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 t -63.23 122.14 15.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.221 1.808 . . . . 0.0 110.839 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.45 -33.33 13.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 126.64 1.976 . . . . 0.0 113.634 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.37 75.47 0.54 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.681 0.793 . . . . 0.0 110.423 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.21 128.94 4.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.712 1.205 . . . . 0.0 109.799 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 106.07 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 128.806 2.842 . . . . 0.0 109.136 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -58.86 -43.63 90.86 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 109.975 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.32 23.37 66.39 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.011 0.815 . . . . 0.0 114.713 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.57 149.7 26.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.54 144.19 22.58 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -146.01 149.68 34.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.389 0.541 . . . . 0.0 111.294 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -71.27 -47.71 55.31 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.118 0.967 . . . . 0.0 112.924 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.06 136.26 33.11 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.193 -0.317 . . . . 0.0 110.628 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -54.32 -47.6 72.3 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 119.317 -0.373 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.3 p-90 -55.76 -39.35 71.08 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.42 0.688 . . . . 0.0 111.204 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -66.15 -46.3 77.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.8 -41.16 95.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.981 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -58.65 -47.05 85.74 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.277 0.944 . . . . 0.0 109.788 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.41 77.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -61.67 -55.58 28.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.209 174.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -47.53 -38.52 14.24 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.163 0.985 . . . . 0.0 112.549 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 p -50.19 -33.1 18.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.62 0.645 . . . . 0.0 111.444 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -54.5 -43.18 71.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.362 0.665 . . . . 0.0 111.457 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -90.58 -51.1 5.57 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 111.308 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 p -76.7 -31.53 57.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.047 1.339 . . . . 0.0 113.84 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.95 8.63 78.5 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -171.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 147.26 33.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.789 1.294 . . . . 0.0 110.864 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -134.82 76.87 58.69 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -47.39 -24.49 4.09 Favored 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.53 4.153 . . . . 0.0 119.208 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.64 83.82 5.94 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 119.498 1.045 . . . . 0.0 111.859 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.57 152.0 33.19 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.465 2.11 . . . . 0.0 111.346 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.4 t -80.14 -16.93 53.85 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.975 0.91 . . . . 0.0 112.179 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 70.54 -50.17 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.437 1.895 . . . . 0.0 114.14 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -39.86 132.1 1.79 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.769 1.628 . . . . 0.0 113.154 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -56.71 139.51 50.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.8 -65.03 2.94 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.73 48.78 0.84 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.021 0.928 . . . . 0.0 110.108 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -82.89 60.54 5.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.61 160.22 28.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.522 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.07 108.88 1.08 Allowed Glycine 0 C--N 1.334 0.446 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -105.69 150.02 25.85 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.135 0.967 . . . . 0.0 109.635 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -88.61 -9.05 53.53 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.967 0.907 . . . . 0.0 112.664 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -150.05 148.76 29.4 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.702 0.683 . . . . 0.0 110.391 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.2 -37.0 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -49.51 76.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 122.0 -0.437 . . . . 0.0 110.479 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -62.09 -39.5 92.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.134 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.22 -40.37 81.49 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.621 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m -61.99 -49.2 77.0 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.575 -0.703 . . . . 0.0 109.825 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -59.8 -43.87 94.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.946 0.794 . . . . 0.0 109.762 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.17 -43.36 78.31 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.752 -0.592 . . . . 0.0 109.717 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -20.53 11.68 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.3 mt -56.25 -35.04 66.95 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.403 1.001 . . . . 0.0 109.634 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -68.57 -35.23 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -76.9 -47.29 21.55 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.6 p -67.96 -28.98 67.93 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.493 0.317 . . . . 0.0 110.769 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.74 30.24 48.96 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -79.51 45.95 0.71 Allowed 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.736 -0.861 . . . . 0.0 111.973 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -81.25 64.7 6.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.402 1.481 . . . . 0.0 107.982 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -115.94 7.37 14.4 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -76.13 85.05 2.98 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 119.647 1.112 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 m -77.82 122.3 25.24 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.054 2.142 . . . . 0.0 111.835 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 t -59.98 119.98 8.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 173.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.56 73.15 1.95 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 122.561 0.344 . . . . 0.0 110.177 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -152.5 116.62 4.91 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.39 138.75 26.36 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.02 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.98 -59.64 4.49 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.07 46.02 0.57 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.505 1.122 . . . . 0.0 110.113 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.12 52.1 2.11 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.928 -1.107 . . . . 0.0 109.456 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.5 128.85 37.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -100.68 119.47 38.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 108.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.07 161.92 13.26 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.948 0.899 . . . . 0.0 111.025 -176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 p -67.95 -50.92 53.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.032 1.333 . . . . 0.0 111.064 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 p -118.08 155.12 30.92 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.701 0.762 . . . . 0.0 110.527 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -57.98 -42.57 85.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.242 175.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.23 92.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.552 -0.718 . . . . 0.0 111.201 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.13 -46.34 88.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.313 0.96 . . . . 0.0 108.933 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.7 ttp -56.21 -48.37 76.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.87 0.468 . . . . 0.0 110.249 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -58.41 -52.31 66.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.244 0.617 . . . . 0.0 110.172 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -54.74 -45.46 74.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.752 0.705 . . . . 0.0 110.119 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -58.87 -53.63 56.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.994 -0.441 . . . . 0.0 110.001 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.71 -42.83 71.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.027 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -58.56 -64.86 0.78 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -47.99 -52.74 18.63 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.723 1.209 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -88.2 -24.98 23.14 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -124.67 -42.1 2.09 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.504 1.047 . . . . 0.0 112.933 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -40.44 62.31 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.626 1.103 . . . . 0.0 110.038 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.7 pt -119.43 32.48 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 123.839 0.856 . . . . 0.0 109.626 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 124.7 1.2 . . . . 0.0 111.719 179.104 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 O4'-C1'-N19 110.705 3.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.471 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.029 4.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.575 0 P-O3'-C3' 123.576 3.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.503 1 O4'-C1'-N19 112.712 6.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.561 0 O4'-C4'-C3' 108.534 2.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.234 4.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 1 O4'-C1'-N19 112.526 5.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.089 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.737 0 O4'-C1'-C2' 103.038 -2.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.423 1 O4'-C1'-N19 111.184 4.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 P-O3'-C3' 123.343 3.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 P-O3'-C3' 122.802 2.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.526 0 C1'-O4'-C4' 105.462 -3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 0 O4'-C1'-N19 110.292 3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.799 0 O4'-C1'-C2' 103.161 -2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.109 0 P-O3'-C3' 122.76 2.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 0 P-O3'-C3' 123.816 3.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.834 1 O4'-C1'-C2' 101.681 -4.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 1 O4'-C1'-N19 112.443 5.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C1'-N19 110.175 2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . 0.526 ' H41' ' CD2' ' A' ' 58' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.542 1 O4'-C1'-N19 114.437 8.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.826 1 O4'-C1'-N19 114.387 8.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O4'-C1'-N19 109.92 2.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 0 P-O3'-C3' 122.761 2.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.871 1 O4'-C1'-N19 111.775 4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 O4'-C1'-N19 110.734 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.933 0 O4'-C1'-N19 110.74 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.513 0 O4'-C4'-C3' 108.319 2.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.294 0 P-O3'-C3' 122.519 2.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.6 mtp . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 120.629 0.252 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -60.13 129.05 39.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -61.55 133.83 56.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -90.79 127.67 36.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.44 HD12 ' N ' ' A' ' 14' ' ' ILE . 2.1 mp -86.81 142.03 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 123.991 0.916 . . . . 0.0 110.015 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -61.74 125.89 25.41 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.209 1.403 . . . . 0.0 111.111 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.95 -43.21 13.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.083 1.753 . . . . 0.0 112.308 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -74.97 67.64 1.71 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.3 -61.01 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.379 2.672 . . . . 0.0 115.133 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.26 -37.08 3.03 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.837 1.655 . . . . 0.0 113.219 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -54.08 -35.0 61.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.58 1.552 . . . . 0.0 111.527 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.77 57.54 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.245 0.926 . . . . 0.0 113.526 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.67 150.99 20.34 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.39 147.78 25.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -143.69 152.95 41.96 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 118.093 0.406 . . . . 0.0 111.938 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -39.33 -56.06 1.62 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 127.189 2.195 . . . . 0.0 115.919 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -125.6 160.48 29.5 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -49.11 -54.0 18.14 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.779 1.632 . . . . 0.0 110.566 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -55.14 -42.38 72.98 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.347 0.659 . . . . 0.0 110.944 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -67.71 -43.48 79.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 30' ' ' LEU . 23.4 tp -59.53 -41.11 89.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.949 177.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.02 -45.89 91.28 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.956 0.798 . . . . 0.0 109.769 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.164 -0.335 . . . . 0.0 110.433 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -63.91 -55.82 19.82 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.743 -0.598 . . . . 0.0 109.566 174.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -52.01 -30.71 26.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.539 1.136 . . . . 0.0 111.914 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.3 p -54.63 -31.13 56.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.36 0.982 . . . . 0.0 110.885 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -63.24 -33.29 75.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.134 0.573 . . . . 0.0 111.212 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.75 -49.66 6.51 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.657 0.783 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.8 p -88.69 -30.71 18.92 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.843 1.657 . . . . 0.0 115.323 -171.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.81 7.18 88.85 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -172.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.82 133.18 38.25 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.054 1.427 . . . . 0.0 110.639 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -130.44 81.93 66.67 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -52.28 -20.85 12.02 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 125.286 3.99 . . . . 0.0 118.722 -173.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -113.02 76.88 2.44 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 119.777 1.171 . . . . 0.0 111.561 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.33 142.49 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.028 2.486 . . . . 0.0 110.212 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.56 -17.72 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.068 1.347 . . . . 0.0 112.273 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 71.53 -44.95 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.511 1.924 . . . . 0.0 114.292 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -43.14 133.84 3.77 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.526 1.13 . . . . 0.0 112.748 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.36 134.73 56.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.1 -63.29 3.25 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.96 46.19 0.57 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.445 1.098 . . . . 0.0 110.356 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.01 60.03 5.99 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -65.62 137.67 57.5 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.23 91.82 1.11 Allowed Glycine 0 CA--C 1.52 0.348 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -90.47 156.44 18.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.841 0.821 . . . . 0.0 110.016 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -100.8 -7.9 23.19 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -148.86 156.68 42.66 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.287 0.948 . . . . 0.0 109.324 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.11 -43.31 95.7 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.526 ' CD2' ' H41' ' F' ' 22' ' ' ' DC' . 61.4 t60 -61.64 -48.56 80.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.631 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -53.74 -48.04 70.05 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.1 -40.35 89.31 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.188 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -62.49 -52.71 62.41 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.469 -0.769 . . . . 0.0 110.12 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -58.82 -38.45 78.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.177 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -58.99 -49.86 76.3 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.909 -0.494 . . . . 0.0 110.793 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -24.8 27.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -52.14 -31.93 33.39 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.69 0.677 . . . . 0.0 110.888 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -65.54 -29.77 70.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.591 0.356 . . . . 0.0 111.523 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.65 -48.24 15.44 Favored 'General case' 0 CA--C 1.522 -0.129 0 C-N-CA 124.055 0.942 . . . . 0.0 109.277 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -71.74 -25.06 61.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.53 32.54 46.39 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.22 58.03 2.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.9 0.857 . . . . 0.0 111.267 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.51 77.26 5.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -121.29 -3.71 9.46 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -169.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -76.8 87.48 3.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 119.448 1.022 . . . . 0.0 108.394 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.59 117.69 19.26 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.824 2.05 . . . . 0.0 111.265 -173.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.07 116.54 4.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -74.72 74.56 2.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -148.89 113.52 5.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.76 132.37 26.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.63 0.772 . . . . 0.0 110.76 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.48 -56.82 4.9 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.6 t -77.87 46.13 0.55 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.5 1.12 . . . . 0.0 109.96 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.58 51.47 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 120.819 -1.176 . . . . 0.0 109.368 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.69 134.46 48.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -102.41 125.83 49.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -110.72 164.08 13.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.163 0.985 . . . . 0.0 111.296 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -68.04 -39.03 83.16 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.033 1.733 . . . . 0.0 113.038 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 p -136.74 163.41 30.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.234 0.925 . . . . 0.0 110.144 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -57.99 -38.79 76.77 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.26 85.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.736 -0.603 . . . . 0.0 111.509 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -59.89 -48.1 83.07 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.4 ttp -54.32 -49.69 69.09 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.373 0.669 . . . . 0.0 110.029 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -59.97 -48.33 82.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.419 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.45 -50.12 65.95 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.693 1.133 . . . . 0.0 109.677 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -56.41 -54.09 49.72 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.14 -42.63 69.74 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.998 0.904 . . . . 0.0 110.536 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -60.88 -61.67 2.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -52.9 -43.77 66.44 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.643 1.577 . . . . 0.0 113.474 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.32 -24.29 17.47 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -128.99 -46.04 1.25 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.571 1.078 . . . . 0.0 113.366 -173.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -47.41 31.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.234 0.925 . . . . 0.0 112.131 -174.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 pt -79.58 -35.39 16.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 119.049 0.84 . . . . 0.0 109.093 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.966 0.906 . . . . 0.0 110.031 179.569 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.131 0 O4'-C1'-N19 109.98 2.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.902 5.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.629 0 O4'-C1'-N19 110.176 2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.495 1 O4'-C1'-N19 111.963 5.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-N19 110.208 3.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.777 0 N19-C1'-C2' 108.217 -3.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 1 O4'-C1'-N19 112.439 5.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O4'-C1'-N19 110.48 3.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 O4'-C1'-C2' 102.765 -3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 1 O4'-C1'-N19 112.093 5.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 P-O3'-C3' 122.441 2.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 0 O4'-C1'-C2' 102.622 -3.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.541 0 C1'-O4'-C4' 105.497 -3.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 O4'-C1'-N19 110.921 3.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.412 0 O4'-C1'-C2' 103.32 -2.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.158 0 P-O3'-C3' 123.235 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.471 0 P-O3'-C3' 123.516 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 O4'-C4'-C3' 108.235 2.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 1 O4'-C1'-N19 111.778 4.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 122.84 2.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.754 1 O4'-C1'-N19 113.549 7.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 1 O4'-C1'-N19 112.436 5.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C4'-C3' 108.115 2.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.759 0 P-O3'-C3' 122.603 2.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.876 1 O4'-C1'-N19 111.605 4.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.618 0 O4'-C1'-C2' 102.721 -3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.994 1 O4'-C1'-N19 111.654 4.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 0 O4'-C4'-C3' 108.176 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.558 0 O4'-C1'-N19 110.597 3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.9 mtm . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -62.01 140.16 58.37 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.421 0.629 . . . . 0.0 112.093 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' H ' ' CB ' ' A' ' 25' ' ' ASN . 2.2 mpt_? 74.9 80.29 0.11 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 128.959 2.904 . . . . 0.0 108.436 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -74.42 132.99 42.44 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -87.36 148.28 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.362 1.465 . . . . 0.0 111.454 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -66.87 126.0 27.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.902 2.081 . . . . 0.0 110.039 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -40.01 -43.43 1.56 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 126.811 2.044 . . . . 0.0 113.356 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -75.67 62.35 1.46 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.306 1.042 . . . . 0.0 109.484 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.35 -65.89 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 129.2 3.0 . . . . 0.0 115.626 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.0 -36.67 1.64 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.072 1.749 . . . . 0.0 113.106 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -52.53 -35.57 53.71 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.672 1.589 . . . . 0.0 111.939 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.78 18.08 61.34 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.936 0.779 . . . . 0.0 114.758 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.06 140.16 32.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.58 148.19 27.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.422 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -143.22 -50.07 0.33 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 104.55 -41.42 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 128.338 2.655 . . . . 0.0 112.263 -177.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HZ3' ' HA ' ' A' ' 26' ' ' LYS . 2.2 mmmp? -75.59 116.05 15.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -47.74 -51.91 20.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.436 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -53.42 -44.38 68.72 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.341 0.656 . . . . 0.0 111.109 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.52 -48.14 73.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -177.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.67 -42.16 96.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.826 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.35 -47.37 86.36 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.84 0.746 . . . . 0.0 109.686 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -37.16 71.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.125 0.57 . . . . 0.0 110.169 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -66.7 -56.75 9.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -47.05 -39.66 13.37 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.105 0.962 . . . . 0.0 112.256 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -51.3 -32.12 23.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.487 0.585 . . . . 0.0 111.985 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -60.06 -35.58 75.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.916 0.486 . . . . 0.0 110.86 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.43 -51.15 5.42 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.063 0.945 . . . . 0.0 111.333 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.4 p -80.35 -31.56 37.93 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.049 1.74 . . . . 0.0 114.47 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.97 7.22 87.56 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 119.508 -0.607 . . . . 0.0 111.597 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.68 139.08 38.55 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.051 1.425 . . . . 0.0 110.671 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -128.4 83.46 66.08 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 124.441 1.096 . . . . 0.0 109.444 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -50.3 -27.39 17.81 Favored 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 125.638 4.225 . . . . 0.0 118.617 -175.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.03 83.12 1.24 Allowed Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 119.299 0.954 . . . . 0.0 111.325 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.69 149.73 49.24 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.374 2.049 . . . . 0.0 110.608 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.52 -18.62 47.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.492 0.717 . . . . 0.0 111.738 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.3 -43.18 0.48 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.64 1.976 . . . . 0.0 115.479 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -43.55 135.41 3.71 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.485 1.114 . . . . 0.0 112.641 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.23 137.21 57.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.19 -64.36 3.15 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.55 46.43 0.64 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.376 1.07 . . . . 0.0 110.123 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -84.43 60.3 5.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.239 -0.913 . . . . 0.0 108.678 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -68.66 167.11 15.87 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.067 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.34 114.96 2.04 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 106.823 -2.511 . . . . 0.0 106.823 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -111.61 151.51 28.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.025 0.93 . . . . 0.0 109.92 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.89 -1.92 41.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -174.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.6 p -154.47 155.69 35.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.513 1.051 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.44 -46.19 89.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -61.9 -43.67 98.36 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.389 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -46.16 80.66 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.577 0.626 . . . . 0.0 109.567 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.1 -42.31 94.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.786 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.6 m -59.08 -53.54 57.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.044 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 -57.76 -41.07 81.2 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.262 0.937 . . . . 0.0 110.281 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.2 -49.96 74.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.123 0.419 . . . . 0.0 110.589 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 p -58.03 -19.93 35.06 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.09 -32.44 68.07 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.45 -0.781 . . . . 0.0 109.644 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -65.11 -34.49 78.53 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.07 0.395 . . . . 0.0 111.149 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.6 -51.84 8.76 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.628 0.771 . . . . 0.0 109.79 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.5 p -68.06 -30.22 69.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.263 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.01 19.72 66.72 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.103 0.859 . . . . 0.0 111.527 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -78.46 55.19 1.56 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.115 0.958 . . . . 0.0 111.419 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.33 67.65 5.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.461 1.904 . . . . 0.0 106.113 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -102.63 -4.71 24.76 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -75.51 84.92 2.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 119.297 0.953 . . . . 0.0 109.337 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -79.95 123.23 27.6 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.979 2.112 . . . . 0.0 111.173 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.1 120.34 9.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -76.48 66.7 2.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.788 0.835 . . . . 0.0 110.5 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 t -145.51 116.12 7.66 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.85 139.67 26.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.882 0.473 . . . . 0.0 109.972 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.22 -60.61 4.47 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 108.788 -1.725 . . . . 0.0 108.788 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.34 48.95 0.8 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.981 0.912 . . . . 0.0 109.861 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -83.19 52.48 2.2 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.944 -1.097 . . . . 0.0 109.072 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.28 131.63 45.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -94.73 136.69 34.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.96 159.13 27.58 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.066 0.946 . . . . 0.0 110.164 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 p -72.12 -32.52 67.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.257 1.023 . . . . 0.0 112.787 -178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -137.38 158.1 45.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.925 0.784 . . . . 0.0 110.592 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -56.88 -43.97 81.82 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.266 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.94 -45.22 93.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.603 1.092 . . . . 0.0 109.214 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.1 ttp -55.2 -48.17 74.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.858 0.463 . . . . 0.0 109.801 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -60.72 -47.64 85.38 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.861 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.96 -51.33 61.84 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 119.802 1.183 . . . . 0.0 109.044 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -55.87 -54.07 49.09 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.365 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.73 -43.9 66.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.846 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -66.8 0.46 Allowed 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.271 1.028 . . . . 0.0 108.511 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -45.58 -36.49 4.73 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.331 1.852 . . . . 0.0 113.453 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -105.25 -65.56 1.04 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -175.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -78.71 -35.68 44.55 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -171.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.56 -39.56 45.39 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 119.392 0.996 . . . . 0.0 108.969 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.2 mm -76.32 -26.82 17.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 122.868 0.467 . . . . 0.0 111.184 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm . . . . . 0 C--N 1.338 0.074 0 C-N-CA 124.699 1.2 . . . . 0.0 109.089 -178.484 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.835 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.019 0 P-O3'-C3' 122.873 2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.894 5.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.072 2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.491 1 O4'-C1'-N19 112.482 5.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 O4'-C1'-N19 110.806 3.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.45 0 N19-C1'-C2' 108.996 -3.252 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 109.62 2.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 1 O4'-C1'-N19 112.424 5.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.904 0 O4'-C4'-C3' 108.33 2.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.991 1 O4'-C1'-N19 113.051 6.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 P-O3'-C3' 122.697 2.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.861 0 O4'-C1'-C2' 102.501 -3.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.371 0 C1'-O4'-C4' 105.969 -2.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.836 0 O4'-C1'-N19 110.419 3.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.786 0 O4'-C1'-C2' 102.961 -2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.931 1 O4'-C1'-N19 112.846 6.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 122.687 2.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C1'-C2' 102.648 -3.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.749 1 O4'-C1'-N19 112.706 6.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . 0.404 ' H72' ' ND1' ' A' ' 58' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -2.727 0 O4'-C1'-N19 110.223 3.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . 0.497 ' H41' ' CD2' ' A' ' 58' ' ' HIS . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 113.881 7.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.668 1 O4'-C1'-N19 113.668 7.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C4'-C3' 108.381 2.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.777 0 P-O3'-C3' 122.553 2.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 1 O4'-C1'-N19 112.458 5.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.619 0 P-O3'-C3' 122.702 2.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.979 1 O4'-C1'-N19 111.554 4.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.585 0 O4'-C4'-C3' 108.268 2.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.705 0 O4'-C1'-N19 110.257 3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpp? . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -57.73 131.0 48.97 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.62 0.368 . . . . 0.0 110.279 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -74.11 121.78 21.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -78.72 123.76 27.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.1 mt -92.68 142.92 12.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.471 0.708 . . . . 0.0 110.913 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 132.56 54.03 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.626 1.17 . . . . 0.0 110.647 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 p -55.21 -42.67 73.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.287 1.435 . . . . 0.0 111.567 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -75.28 65.2 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.206 1.002 . . . . 0.0 109.887 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.02 -63.48 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 129.227 3.011 . . . . 0.0 115.4 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.35 -38.11 2.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.866 1.666 . . . . 0.0 112.969 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -53.8 -35.99 61.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.345 1.458 . . . . 0.0 111.987 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.83 25.3 58.89 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.34 0.971 . . . . 0.0 113.792 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.36 24.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.931 0.865 . . . . 0.0 108.792 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.51 144.99 24.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.65 141.23 29.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.545 0.611 . . . . 0.0 112.332 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 0.55 0.13 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 118.117 2.636 . . . . 0.0 118.117 -174.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.98 150.93 29.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.109 1.322 . . . . 0.0 111.525 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -55.47 -56.47 19.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.89 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -53.59 -41.85 67.03 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.971 0.908 . . . . 0.0 110.708 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -61.49 -50.47 72.61 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.35 -38.07 85.6 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.289 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.37 -47.42 81.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 119.944 1.247 . . . . 0.0 110.003 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.76 -45.67 78.03 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -59.05 -53.87 53.55 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.352 -0.843 . . . . 0.0 110.559 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -54.2 -31.97 54.41 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.901 0.88 . . . . 0.0 111.953 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.1 p -54.24 -30.89 51.85 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.395 0.998 . . . . 0.0 110.736 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -58.88 -41.68 87.71 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.231 0.613 . . . . 0.0 111.258 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -86.0 -50.38 7.1 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.515 0.726 . . . . 0.0 111.368 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -84.28 -29.95 26.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -171.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.24 8.59 83.65 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.77 150.7 32.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.807 1.303 . . . . 0.0 111.062 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -134.99 77.4 56.37 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -48.25 -22.01 3.5 Favored 'Trans proline' 0 C--N 1.346 0.407 1 C-N-CA 125.786 4.324 . . . . 0.0 119.223 -173.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.67 79.58 2.5 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 119.592 1.087 . . . . 0.0 111.484 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -73.02 143.99 37.24 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.494 2.129 . . . . 0.0 110.342 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -77.21 -10.38 59.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.973 1.309 . . . . 0.0 113.672 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm 71.65 -53.86 0.68 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.079 1.752 . . . . 0.0 113.754 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -41.71 131.55 3.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.846 1.658 . . . . 0.0 113.391 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.19 138.82 57.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.24 -63.99 3.21 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.49 45.29 0.56 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.715 1.206 . . . . 0.0 109.597 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -84.31 59.22 5.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.226 -0.921 . . . . 0.0 108.65 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -65.91 157.49 30.5 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.88 105.48 1.0 Allowed Glycine 0 C--N 1.333 0.395 0 N-CA-C 106.706 -2.558 . . . . 0.0 106.706 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.8 148.7 24.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.977 0.888 . . . . 0.0 110.536 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 p -91.53 -10.88 39.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.411 1.084 . . . . 0.0 111.947 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.3 p -143.95 150.1 37.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.726 0.693 . . . . 0.0 111.081 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.48 -40.68 87.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.497 ' CD2' ' H41' ' F' ' 22' ' ' ' DC' . 6.0 t60 -57.36 -50.89 71.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.157 177.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.18 -40.42 89.92 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.248 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.64 -43.12 99.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.408 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -61.73 -53.13 60.17 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.51 0.724 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -61.39 -41.02 96.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -54.7 -47.04 74.18 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.786 -0.571 . . . . 0.0 109.59 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -54.32 -25.51 24.34 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.14 -32.45 62.11 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.246 0.93 . . . . 0.0 110.311 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 p -66.46 -30.82 71.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.976 0.353 . . . . 0.0 110.994 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.06 -49.13 13.16 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.017 0.927 . . . . 0.0 109.339 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.5 p -73.06 -23.38 60.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.94 26.61 59.99 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -80.32 49.11 1.09 Allowed 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.675 -0.897 . . . . 0.0 111.92 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -79.09 62.73 3.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.657 1.983 . . . . 0.0 108.317 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -104.01 5.22 35.27 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -76.12 85.59 2.98 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 120.247 1.385 . . . . 0.0 108.843 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.7 m -78.0 124.48 28.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.659 1.984 . . . . 0.0 111.522 -173.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.4 t -65.08 118.76 9.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.66 73.54 2.01 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -150.48 110.73 4.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.31 132.52 24.44 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.794 0.838 . . . . 0.0 110.964 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.7 -56.22 4.91 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.1 t -77.85 44.59 0.47 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.072 1.349 . . . . 0.0 109.737 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -84.31 52.66 2.4 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 120.837 -1.164 . . . . 0.0 109.763 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.34 134.99 53.72 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -105.98 120.22 41.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 124.072 0.949 . . . . 0.0 108.496 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -108.25 167.18 10.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.211 1.004 . . . . 0.0 111.681 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -68.49 -46.46 69.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.535 1.534 . . . . 0.0 113.139 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 p -132.86 162.95 30.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.265 0.939 . . . . 0.0 109.962 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.55 -51.07 51.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.304 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 -30.69 70.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -62.97 -49.58 74.17 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -57.41 -42.95 83.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.85 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.32 -53.65 54.04 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.015 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -50.53 -52.2 40.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.235 0.925 . . . . 0.0 109.456 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -55.72 -55.59 30.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.563 0.22 . . . . 0.0 110.469 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -51.79 -43.53 63.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.574 0.75 . . . . 0.0 110.11 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -63.28 -61.05 2.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.666 0.786 . . . . 0.0 109.584 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -50.68 -40.96 55.06 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.496 1.119 . . . . 0.0 113.178 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -99.66 -19.87 16.59 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -134.02 -63.15 0.74 Allowed 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 119.867 1.212 . . . . 0.0 110.188 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.66 60.02 3.21 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.667 0.667 . . . . 0.0 111.206 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.6 mt -75.65 -35.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 CA--C 1.533 0.296 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.338 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.455 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 P-O3'-C3' 122.907 2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.499 1 O4'-C1'-N19 111.657 4.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 P-O3'-C3' 123.879 3.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.517 1 O4'-C1'-N19 112.595 5.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 0 N19-C1'-C2' 108.973 -3.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.351 2 O4'-C1'-N19 112.311 5.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 P-O3'-C3' 123.394 3.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 O4'-C1'-C2' 102.74 -3.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.476 1 O4'-C1'-N19 111.853 5.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C1'-N19 109.891 2.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.862 1 O4'-C1'-N19 112.738 6.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.207 0 P-O3'-C3' 122.619 2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 O4'-C1'-N19 111.154 4.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 0 O4'-C1'-N19 110.683 3.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.826 0 O4'-C1'-C2' 102.359 -3.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 P-O3'-C3' 123.603 3.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.735 0 O4'-C1'-C2' 103.191 -2.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 1 O4'-C1'-N19 112.727 6.158 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 109.976 2.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.267 1 O4'-C1'-N19 112.051 5.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.896 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 0 N19-C1'-C2' 110.02 -2.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.41 0 O4'-C4'-C3' 108.243 2.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 1 O4'-C1'-N19 111.825 5.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.481 0 P-O3'-C3' 122.712 2.51 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.919 1 O4'-C1'-N19 111.885 5.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C4'-C3' 108.038 2.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 O4'-C1'-N19 110.247 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtt . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -82.31 99.68 9.49 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -57.3 122.39 12.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.403 0.281 . . . . 0.0 110.461 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -78.17 129.76 35.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.55 143.93 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.59 122.97 16.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.363 1.465 . . . . 0.0 110.444 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -45.87 -40.4 9.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 126.392 1.877 . . . . 0.0 112.842 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -75.58 63.66 1.56 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.247 1.019 . . . . 0.0 109.534 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -13.88 -65.8 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 129.182 2.993 . . . . 0.0 115.494 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.37 -37.38 2.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 113.094 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.2 t -54.18 -35.74 62.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.15 1.38 . . . . 0.0 112.131 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.79 25.59 61.63 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.158 0.885 . . . . 0.0 114.256 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.51 146.11 24.36 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.125 0.963 . . . . 0.0 108.477 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.24 146.88 24.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -147.75 153.07 38.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.558 0.617 . . . . 0.0 110.871 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -73.98 -48.74 28.29 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.176 0.99 . . . . 0.0 112.424 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -84.74 131.46 34.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.843 -0.536 . . . . 0.0 110.101 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.86 -45.35 70.96 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.217 -0.302 . . . . 0.0 110.82 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -56.6 -38.27 71.81 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.332 0.653 . . . . 0.0 111.596 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -63.4 -48.97 75.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.05 -38.22 85.4 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.293 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -60.14 -48.23 82.61 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 119.606 1.094 . . . . 0.0 109.602 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.89 -47.03 74.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.25 -56.93 15.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.807 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -52.36 -31.85 35.6 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.558 1.143 . . . . 0.0 112.291 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 p -53.05 -31.95 44.2 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.073 0.851 . . . . 0.0 111.134 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.17 -40.38 81.31 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.38 0.536 . . . . 0.0 111.573 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.09 -48.04 7.68 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.258 0.623 . . . . 0.0 111.341 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -83.2 -30.31 27.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.38 83.92 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -172.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -79.09 144.36 34.65 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.797 1.298 . . . . 0.0 110.917 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -132.53 78.07 68.28 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -49.29 -24.05 7.84 Favored 'Trans proline' 0 C--N 1.346 0.413 1 C-N-CA 125.322 4.015 . . . . 0.0 118.56 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.31 79.61 3.98 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 119.595 1.089 . . . . 0.0 111.174 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.91 149.17 36.74 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.15 1.9 . . . . 0.0 110.505 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.5 t -82.42 127.12 32.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -77.38 -7.16 55.65 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -172.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -65.1 120.39 12.57 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.888 0.767 . . . . 0.0 110.314 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.11 69.97 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.199 1.4 . . . . 0.0 111.043 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 162.15 -61.5 0.28 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.3 -2.72 . . . . 0.0 106.3 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.9 t -79.62 56.34 2.2 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -80.98 62.33 4.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.855 0.862 . . . . 0.0 109.681 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -68.31 161.82 26.52 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.05 103.96 0.8 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 107.464 -2.254 . . . . 0.0 107.464 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -103.13 148.59 25.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.286 1.043 . . . . 0.0 109.13 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 p -90.91 -5.81 54.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.561 0.745 . . . . 0.0 112.425 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -150.58 144.2 25.14 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.749 0.704 . . . . 0.0 111.025 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.5 tp -56.59 -41.15 76.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -49.69 71.95 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.38 -42.99 98.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -58.04 -41.18 82.67 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 110.016 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -59.97 -55.3 35.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.344 0.658 . . . . 0.0 109.973 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -62.15 -39.53 92.92 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.027 -1.069 . . . . 0.0 110.933 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.78 -45.12 70.58 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.557 -0.715 . . . . 0.0 109.881 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 m -54.81 -23.54 18.73 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.9 -33.21 55.92 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.385 0.993 . . . . 0.0 110.434 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -65.44 -31.33 72.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.429 0.292 . . . . 0.0 111.264 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.72 -48.91 12.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.099 0.959 . . . . 0.0 109.59 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -69.89 -24.67 63.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.378 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.73 32.5 57.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.34 45.65 0.67 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.942 -0.74 . . . . 0.0 111.909 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -79.22 66.65 4.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.327 1.851 . . . . 0.0 108.637 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -110.88 3.83 19.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -75.91 85.22 2.84 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 119.853 1.206 . . . . 0.0 110.165 -175.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.4 m -75.37 119.65 19.76 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.776 2.03 . . . . 0.0 112.255 -173.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.5 t -58.39 120.41 8.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.417 1.087 . . . . 0.0 108.122 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -76.17 71.76 2.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -152.05 116.75 5.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.11 139.95 27.11 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.999 0.519 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.51 4.37 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.17 48.79 0.77 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.992 0.917 . . . . 0.0 109.802 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -83.25 53.51 2.5 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.946 -1.096 . . . . 0.0 109.362 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.79 126.24 29.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -98.33 120.16 38.26 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -108.99 173.82 6.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.807 1.243 . . . . 0.0 113.13 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.4 p -72.96 -48.06 39.97 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.186 2.194 . . . . 0.0 113.736 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.4 p -136.15 159.94 40.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.911 1.232 . . . . 0.0 109.413 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -57.17 -30.42 64.46 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.904 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.57 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.146 1.339 . . . . 0.0 111.086 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -60.15 -46.41 89.76 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.6 ttp -56.3 -51.48 68.04 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.689 0.796 . . . . 0.0 111.264 178.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -58.59 -54.1 50.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.63 0.772 . . . . 0.0 109.373 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -52.22 -52.64 51.1 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.409 0.55 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -55.52 -54.54 42.69 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 117.914 0.325 . . . . 0.0 110.177 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -53.9 -44.93 70.92 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.913 0.485 . . . . 0.0 110.654 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.25 -66.16 0.53 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -46.95 -38.05 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.084 2.154 . . . . 0.0 113.136 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -99.95 -70.47 0.73 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.914 0.886 . . . . 0.0 113.001 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.43 -38.0 50.47 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -35.65 61.68 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.316 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.7 mm -75.75 -54.6 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm . . . . . 0 CA--C 1.529 0.164 0 O-C-N 121.27 -0.894 . . . . 0.0 108.828 179.584 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.422 0 O4'-C1'-N19 110.871 3.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.299 1 O4'-C1'-N19 111.291 4.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 112.17 5.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 0 P-O3'-C3' 123.929 3.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 1 O4'-C1'-N19 112.166 5.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.654 0 O4'-C1'-N19 110.59 3.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.342 0 N19-C1'-C2' 108.874 -3.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 109.868 2.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.441 1 O4'-C1'-N19 111.979 5.223 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 0 P-O3'-C3' 123.697 3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.681 1 O4'-C1'-N19 111.793 4.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 P-O3'-C3' 122.762 2.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 O4'-C1'-C2' 102.331 -3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.369 0 O4'-C1'-N19 110.519 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 1 O4'-C1'-N19 111.192 4.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.683 1 O4'-C1'-N19 112.618 6.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.776 0 O4'-C1'-N19 110.219 3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.089 0 O4'-C4'-C3' 107.902 2.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.964 0 O4'-C1'-C2' 102.352 -3.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.594 1 O4'-C1'-N19 111.725 4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.718 0 P-O3'-C3' 122.811 2.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.617 4.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 1 O4'-C1'-N19 112.316 5.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C4'-C3' 108.364 2.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 P-O3'-C3' 122.714 2.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-N19 112.207 5.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.565 0 O4'-C1'-C2' 102.946 -2.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.01 1 O4'-C1'-N19 111.725 4.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C4'-C3' 108.16 2.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 0 O4'-C1'-N19 110.309 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 tpp . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -70.19 116.74 10.9 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 148.65 51.27 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.153 0.433 . . . . 0.0 110.834 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -77.54 133.74 38.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 171.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.45 143.14 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 118.402 0.546 . . . . 0.0 111.382 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.7 t -58.64 127.85 34.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.83 1.652 . . . . 0.0 110.562 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.23 -45.03 5.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.601 1.961 . . . . 0.0 112.737 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.81 64.32 1.77 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.069 0.948 . . . . 0.0 109.737 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.57 -64.55 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.833 2.853 . . . . 0.0 115.426 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -42.92 -37.97 2.04 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.082 1.753 . . . . 0.0 113.098 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -52.42 -36.63 54.74 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.641 1.576 . . . . 0.0 111.983 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.54 20.05 60.95 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.881 0.753 . . . . 0.0 114.007 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.24 146.26 26.61 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.18 141.45 20.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -145.97 145.33 30.6 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.056 0.942 . . . . 0.0 108.745 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -78.63 -36.21 44.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.6 130.51 34.46 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.782 -0.574 . . . . 0.0 109.886 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -54.13 -51.2 64.99 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.406 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -53.79 -40.88 66.67 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.339 0.655 . . . . 0.0 110.8 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.06 -44.5 79.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -39.49 94.73 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -62.39 -45.95 90.81 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.79 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -54.56 -54.53 40.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.434 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 mt -52.45 -32.85 41.55 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 117.971 -1.014 . . . . 0.0 112.402 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 p -49.7 -32.14 12.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.197 0.908 . . . . 0.0 111.544 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -55.05 -41.4 71.4 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.678 0.672 . . . . 0.0 111.319 176.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -90.8 -48.52 6.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.216 1.006 . . . . 0.0 111.835 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.1 p -93.02 -21.75 19.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.82 13.45 72.07 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -174.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.98 137.76 39.22 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.804 1.302 . . . . 0.0 109.914 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -132.89 80.64 60.21 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -46.77 -25.97 4.18 Favored 'Trans proline' 0 C--N 1.346 0.423 1 C-N-CA 125.692 4.262 . . . . 0.0 118.979 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.37 81.47 3.04 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 119.265 0.939 . . . . 0.0 111.538 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.25 146.66 28.59 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.184 1.923 . . . . 0.0 111.377 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.98 -28.11 43.49 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.216 0.606 . . . . 0.0 110.467 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 65.57 -31.96 0.15 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -45.04 139.68 3.08 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.496 1.118 . . . . 0.0 112.053 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -51.43 129.35 25.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.151 0.98 . . . . 0.0 109.299 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.38 -61.37 3.54 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.5 t -78.05 49.81 0.83 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.869 0.867 . . . . 0.0 111.215 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -82.54 62.8 6.38 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -69.82 162.07 28.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.563 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.92 102.92 0.64 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -97.56 147.45 24.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 118.214 1.007 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -89.69 -7.95 53.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.929 0.892 . . . . 0.0 112.665 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 p -147.76 153.67 39.53 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.414 1.006 . . . . 0.0 111.492 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.56 -40.99 84.63 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -57.1 -50.51 72.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -59.68 -41.5 90.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.165 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.6 -46.56 89.78 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.488 0.661 . . . . 0.0 110.472 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.0 m -60.18 -55.07 38.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.837 0.855 . . . . 0.0 110.636 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -60.93 -40.93 95.09 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -56.09 -43.18 77.8 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.688 -0.632 . . . . 0.0 109.747 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -56.99 -21.6 31.89 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.77 -30.73 70.99 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.276 -0.89 . . . . 0.0 109.678 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 p -69.19 -34.35 74.78 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.337 0.517 . . . . 0.0 111.034 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -76.45 -50.32 14.37 Favored 'General case' 0 C--N 1.339 0.13 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.4 p -70.12 -26.46 63.97 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.03 21.92 69.8 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.531 1.063 . . . . 0.0 111.23 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.07 56.97 2.11 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.843 0.821 . . . . 0.0 112.236 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -76.44 72.13 3.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.084 1.754 . . . . 0.0 108.232 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -105.55 -2.79 23.15 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -75.98 87.23 2.91 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 120.476 1.489 . . . . 0.0 109.348 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -77.76 119.35 21.15 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.753 2.021 . . . . 0.0 111.391 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.39 115.74 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -74.43 74.42 1.91 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 t -148.26 112.6 5.27 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.55 131.05 21.11 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.947 0.899 . . . . 0.0 110.98 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.38 -55.97 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.64 45.08 0.48 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.823 1.249 . . . . 0.0 109.973 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.16 51.48 2.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 120.868 -1.145 . . . . 0.0 109.733 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.36 136.58 53.6 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.33 125.76 49.14 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -108.43 161.29 15.17 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.614 1.166 . . . . 0.0 111.802 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.7 -44.41 77.76 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.238 1.415 . . . . 0.0 112.208 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -131.55 160.49 35.11 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.165 0.586 . . . . 0.0 110.462 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -59.72 -44.75 93.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.13 -35.0 79.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.46 -0.775 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.79 -44.98 91.74 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.464 1.029 . . . . 0.0 109.011 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.3 ttp -54.84 -48.48 72.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -60.73 -47.82 84.55 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.8 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.96 -51.13 62.51 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 119.942 1.246 . . . . 0.0 109.034 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -56.27 -54.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.65 -44.12 69.35 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.835 0.826 . . . . 0.0 110.35 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.28 -64.3 1.0 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.5 ttm105 -47.64 -46.82 29.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.79 1.636 . . . . 0.0 112.691 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -90.2 -35.06 15.57 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -114.57 -39.06 3.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.166 0.894 . . . . 0.0 113.209 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -44.69 25.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 119.109 0.868 . . . . 0.0 110.962 -178.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.3 pt -115.75 -9.75 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.544 0.738 . . . . 0.0 112.475 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.3 tptp . . . . . 0 CA--C 1.533 0.297 0 C-N-CA 123.639 0.776 . . . . 0.0 110.897 -179.275 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.188 0 P-O3'-C3' 122.837 2.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.86 0 P-O3'-C3' 122.901 2.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.708 1 O4'-C1'-N19 112.405 5.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.56 0 O4'-C4'-C3' 108.437 2.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.853 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.404 1 O4'-C1'-N19 111.613 4.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.336 4.42 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 P-O3'-C3' 122.938 2.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.662 1 O4'-C1'-N19 111.883 5.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 P-O3'-C3' 123.037 2.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-C2' 102.778 -3.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.369 0 O4'-C1'-N19 110.342 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C1'-C2' 103.52 -2.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.946 0 O4'-C1'-N19 110.702 3.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 P-O3'-C3' 123.295 2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.87 0 O4'-C1'-C2' 102.739 -3.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.833 1 O4'-C1'-N19 112.935 6.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 0 O4'-C4'-C3' 107.862 2.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 112.785 6.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.813 1 O4'-C1'-N19 111.874 5.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.393 0 O4'-C1'-N19 109.714 2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 0 P-O3'-C3' 123.018 2.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.997 1 O4'-C1'-N19 112.141 5.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 0 O4'-C1'-C2' 103.032 -2.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.961 1 O4'-C1'-N19 111.715 4.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.625 0 O4'-C4'-C3' 108.183 2.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 O4'-C1'-N19 110.418 3.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -68.22 142.3 55.69 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.402 1.081 . . . . 0.0 109.644 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.85 137.07 44.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -79.46 136.21 36.87 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 103.676 -2.712 . . . . 0.0 103.676 169.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mt -110.54 142.01 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.635 0.774 . . . . 0.0 110.405 -176.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -65.96 115.82 6.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.598 1.159 . . . . 0.0 109.122 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.05 -33.04 10.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.368 1.867 . . . . 0.0 114.399 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -74.65 57.26 0.74 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.328 1.051 . . . . 0.0 112.486 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 8.85 -77.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.874 3.269 . . . . 0.0 116.39 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.6 -40.69 20.0 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 125.111 1.365 . . . . 0.0 111.893 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -83.74 69.29 10.16 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 52.24 0.52 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 127.262 2.363 . . . . 0.0 113.248 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.43 146.7 26.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.44 142.68 20.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -151.65 146.68 25.98 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.194 0.452 . . . . 0.0 110.35 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -39.41 75.17 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.883 0.473 . . . . 0.0 110.479 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -78.39 111.46 14.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.352 0.596 . . . . 0.0 111.588 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -40.74 -57.61 1.86 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.091 1.757 . . . . 0.0 110.429 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -53.7 -40.28 65.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.243 1.017 . . . . 0.0 112.467 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -66.03 -46.89 76.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.36 -37.59 87.86 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -60.59 -49.3 78.07 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.799 1.182 . . . . 0.0 109.251 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -43.56 74.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 109.905 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -60.83 -58.28 9.1 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.6 -37.44 49.96 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.753 -0.592 . . . . 0.0 111.972 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -55.27 -30.21 59.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.145 0.43 . . . . 0.0 111.786 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -57.01 -37.35 71.57 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.028 0.376 . . . . 0.0 110.382 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.0 -52.62 4.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.857 0.863 . . . . 0.0 111.521 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -79.55 -29.7 41.46 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.141 1.377 . . . . 0.0 114.526 -172.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.46 6.73 84.6 Favored Glycine 0 CA--C 1.536 1.389 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.29 127.35 31.96 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.154 1.477 . . . . 0.0 109.484 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -126.9 83.68 65.11 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 124.209 1.004 . . . . 0.0 109.432 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -51.54 -22.31 12.36 Favored 'Trans proline' 0 C--N 1.348 0.539 1 C-N-CA 125.807 4.338 . . . . 0.0 118.716 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.12 79.45 1.57 Allowed Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 119.569 1.077 . . . . 0.0 110.302 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -73.75 144.31 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.199 1.933 . . . . 0.0 110.452 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.9 t -86.47 89.64 7.96 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.97 46.01 0.22 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.39 139.21 31.4 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.142 1.777 . . . . 0.0 107.098 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.59 129.41 40.8 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.85 -55.28 3.46 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.1 53.08 0.94 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.811 1.245 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.67 65.24 4.78 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.558 0.743 . . . . 0.0 110.692 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.19 164.15 26.71 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.89 106.25 0.86 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 108.028 -2.029 . . . . 0.0 108.028 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.03 157.04 18.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.089 0.944 . . . . 0.0 109.665 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -102.78 -1.51 29.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.436 1.094 . . . . 0.0 112.844 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 p -154.25 150.27 27.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 118.847 0.748 . . . . 0.0 110.105 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.9 tp -59.92 -37.07 78.41 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.594 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -47.74 85.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.978 -0.451 . . . . 0.0 110.035 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -57.76 -48.7 78.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 tp -55.44 -40.41 71.53 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.1 m -59.87 -53.41 58.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.074 0.55 . . . . 0.0 109.638 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -62.27 -40.29 95.74 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -55.34 -45.22 76.45 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.551 -0.718 . . . . 0.0 109.891 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.6 m -57.79 -17.52 16.34 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.15 -32.92 71.49 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.048 -1.032 . . . . 0.0 109.345 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.9 p -65.2 -34.13 77.65 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.073 0.397 . . . . 0.0 110.832 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.09 -51.21 9.87 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.738 0.815 . . . . 0.0 109.762 -177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.4 p -69.74 -27.41 64.93 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.247 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.08 20.29 70.44 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.398 0.999 . . . . 0.0 111.41 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.37 52.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.149 0.975 . . . . 0.0 112.151 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -78.26 65.82 3.7 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.217 2.207 . . . . 0.0 107.836 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -102.61 1.28 34.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 -172.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -75.83 83.33 2.77 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 120.181 1.355 . . . . 0.0 109.489 -176.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -79.3 120.75 24.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.147 2.179 . . . . 0.0 110.725 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.71 108.16 1.11 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 172.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -73.76 72.02 1.49 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.957 0.408 . . . . 0.0 110.025 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.0 t -140.55 115.64 9.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.88 130.37 18.01 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 -177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.35 -56.08 4.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.77 44.71 0.47 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.782 1.233 . . . . 0.0 110.074 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.7 53.39 2.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.037 -1.039 . . . . 0.0 109.832 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.82 130.54 42.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.82 122.93 41.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.979 1.311 . . . . 0.0 108.782 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.73 160.26 17.47 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.939 0.895 . . . . 0.0 111.381 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.3 p -70.93 -33.96 71.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.12 1.368 . . . . 0.0 112.741 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 p -137.5 157.23 47.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.902 0.774 . . . . 0.0 110.517 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -57.03 -42.95 81.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.79 95.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.052 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.59 -46.05 91.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.369 0.986 . . . . 0.0 109.126 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 55.0 ttp -54.01 -49.33 69.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.116 0.566 . . . . 0.0 109.861 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.91 -47.62 85.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.984 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.42 -48.71 71.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.724 1.147 . . . . 0.0 109.262 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -56.78 -54.45 46.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -52.1 -43.16 63.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.152 0.977 . . . . 0.0 110.437 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.96 -62.99 1.4 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -50.15 -41.74 49.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.027 1.331 . . . . 0.0 113.645 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -100.17 -19.7 16.31 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -129.24 -48.93 1.19 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 119.864 1.211 . . . . 0.0 110.637 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.77 51.6 1.33 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.28 0.946 . . . . 0.0 111.748 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 pp -129.73 20.95 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.779 2.032 . . . . 0.0 110.142 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 O-C-N 121.29 -0.881 . . . . 0.0 109.298 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.519 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.369 1 O4'-C1'-N19 111.083 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.517 1 O4'-C1'-N19 111.973 5.216 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 P-O3'-C3' 123.424 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.578 1 O4'-C1'-N19 112.345 5.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.42 0 O4'-C4'-C3' 108.489 2.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 O4'-C1'-N19 110.286 3.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 112.224 5.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 1 O4'-C1'-N19 111.743 4.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 P-O3'-C3' 123.798 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 1 O4'-C1'-N19 113.064 6.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 P-O3'-C3' 123.121 2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 O4'-C1'-N19 110.702 3.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.394 0 O4'-C1'-N19 110.148 2.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 O4'-C1'-C2' 103.257 -2.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.073 0 O4'-C1'-N19 110.634 3.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.602 1 O4'-C1'-N19 111.896 5.12 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 0 P-O3'-C3' 123.14 2.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 0 O4'-C1'-C2' 102.125 -3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 1 O4'-C1'-N19 112.692 6.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.434 3.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 1 O4'-C1'-N19 112.359 5.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.809 1 O4'-C1'-N19 112.58 5.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C4'-C3' 108.246 2.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.506 0 O4'-C4'-C3' 108.038 2.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.869 1 O4'-C1'-N19 112.419 5.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.653 0 P-O3'-C3' 122.942 2.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.04 1 O4'-C1'-N19 111.242 4.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C4'-C3' 108.076 2.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.619 0 P-O3'-C3' 123.058 2.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -74.21 145.74 43.9 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -128.0 145.07 51.09 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -77.14 133.42 38.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -108.36 142.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.779 0.831 . . . . 0.0 109.816 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.2 t -61.49 119.03 7.78 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.655 1.182 . . . . 0.0 109.648 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -41.16 -42.35 2.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.928 2.091 . . . . 0.0 112.955 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -75.81 63.49 1.67 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.785 1.234 . . . . 0.0 109.104 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.03 -63.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 129.095 2.958 . . . . 0.0 115.405 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.38 -37.5 2.33 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.877 1.671 . . . . 0.0 113.095 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 t -54.65 -34.9 62.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.257 1.423 . . . . 0.0 112.065 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.04 15.36 60.42 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.13 0.871 . . . . 0.0 115.048 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.24 136.7 35.84 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.898 1.349 . . . . 0.0 108.294 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.05 142.36 20.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -153.78 147.71 25.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.327 0.651 . . . . 0.0 109.486 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -74.59 -29.5 61.34 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.638 -0.664 . . . . 0.0 110.661 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -78.54 111.84 15.0 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.889 0.475 . . . . 0.0 111.036 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -50.26 -51.74 42.13 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 124.205 1.002 . . . . 0.0 110.539 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 25.6 p-90 -52.77 -42.33 64.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.14 0.576 . . . . 0.0 110.303 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -70.25 -46.99 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.435 0.694 . . . . 0.0 110.73 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.22 -45.45 94.52 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -57.52 -46.66 83.56 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 -34.38 64.75 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 122.65 0.38 . . . . 0.0 110.489 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.52 -55.04 8.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.379 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -44.0 -39.78 4.32 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.929 0.892 . . . . 0.0 112.504 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 p -43.2 -39.52 2.96 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.12 0.568 . . . . 0.0 112.309 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -53.42 -44.7 68.97 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.922 0.889 . . . . 0.0 112.009 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -91.12 -47.78 7.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.675 0.79 . . . . 0.0 111.58 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -81.8 -28.3 33.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.05 11.34 85.26 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -172.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -76.69 130.54 37.91 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.874 1.337 . . . . 0.0 109.89 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -132.8 80.37 61.37 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.92 -27.12 26.82 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 124.834 3.689 . . . . 0.0 117.803 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -115.19 72.48 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.341 0.973 . . . . 0.0 112.594 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.45 162.04 36.54 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.518 2.145 . . . . 0.0 109.801 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -80.49 -13.61 58.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.611 1.564 . . . . 0.0 112.842 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.66 -47.38 0.67 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.697 1.599 . . . . 0.0 114.313 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -43.04 140.72 1.34 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.279 1.432 . . . . 0.0 112.958 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mp0 -55.09 130.01 40.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.95 -64.14 3.1 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.78 58.93 2.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.31 0.644 . . . . 0.0 109.853 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.67 -30.97 41.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.368 0.667 . . . . 0.0 109.694 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 44.77 -146.15 0.12 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.777 2.031 . . . . 0.0 111.379 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.77 81.65 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -93.01 153.98 18.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 p -93.45 -8.05 42.72 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 p -147.8 161.43 41.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.203 0.91 . . . . 0.0 108.864 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.1 -41.4 97.29 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -69.34 -38.25 78.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.236 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -56.57 -47.37 79.65 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 173.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.13 -38.73 90.07 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.3 m -60.88 -48.68 80.68 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.242 -0.912 . . . . 0.0 110.031 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -60.59 -41.37 94.57 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.801 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -55.43 -45.06 76.79 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.787 0.721 . . . . 0.0 109.973 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 m -55.79 -20.14 13.93 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.9 mt -59.96 -31.78 70.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.354 -0.841 . . . . 0.0 109.704 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.5 p -65.59 -36.35 83.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.257 0.48 . . . . 0.0 111.165 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -78.3 -51.22 10.45 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.813 0.445 . . . . 0.0 110.028 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.0 p -67.61 -27.87 67.26 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.75 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.42 23.08 71.59 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.089 0.852 . . . . 0.0 111.567 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -79.5 54.26 1.71 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.088 0.944 . . . . 0.0 111.9 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.52 68.06 3.55 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.82 2.448 . . . . 0.0 107.956 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -106.54 -2.99 21.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.29 85.52 2.47 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 119.975 1.261 . . . . 0.0 109.723 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -78.58 120.19 22.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.664 1.985 . . . . 0.0 110.684 -175.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.03 119.78 8.98 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -76.23 68.11 2.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.638 0.775 . . . . 0.0 109.905 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -143.17 116.08 8.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 132.3 29.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.66 0.784 . . . . 0.0 110.719 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.3 -56.74 4.88 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.75 45.68 0.52 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.699 1.199 . . . . 0.0 109.965 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.75 52.01 2.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 120.887 -1.133 . . . . 0.0 109.366 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.17 135.23 48.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -98.1 121.75 40.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.066 1.346 . . . . 0.0 108.745 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -108.51 159.64 16.53 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.874 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.43 -52.75 23.83 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.312 1.445 . . . . 0.0 111.817 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.1 p -120.42 157.35 29.5 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.346 0.521 . . . . 0.0 110.212 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -58.9 -40.49 84.65 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 174.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.49 90.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.57 -0.706 . . . . 0.0 111.346 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.03 -44.33 96.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 108.788 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.4 ttp -55.18 -47.97 74.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.53 -48.46 81.66 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.768 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -52.69 -50.97 62.25 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.955 1.252 . . . . 0.0 109.071 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -56.26 -54.05 49.95 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -54.87 -42.29 71.87 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.86 0.838 . . . . 0.0 110.302 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -60.66 -59.9 4.65 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -54.92 -42.95 72.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.563 1.545 . . . . 0.0 113.164 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -94.42 -27.55 15.97 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -125.66 -45.0 1.79 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 119.39 0.995 . . . . 0.0 113.133 -172.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -44.45 54.64 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.168 0.894 . . . . 0.0 111.899 -174.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.2 pt -77.18 -34.14 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 119.279 0.945 . . . . 0.0 109.249 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.524 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.502 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.191 1 O4'-C1'-N19 111.564 4.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 1 O4'-C1'-N19 111.998 5.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 0 P-O3'-C3' 123.844 3.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.623 1 O4'-C1'-N19 111.687 4.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.642 0 O4'-C1'-N19 110.776 3.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 N19-C1'-C2' 109.093 -3.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 109.964 2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 2 O4'-C1'-N19 114.501 8.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 P-O3'-C3' 123.546 3.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 1 O4'-C1'-N19 112.138 5.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 123.144 2.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.759 0 O4'-C1'-C2' 102.669 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.498 0 O4'-C1'-N19 110.416 3.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.817 0 O4'-C1'-N19 110.634 3.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.847 0 O4'-C1'-N19 109.918 2.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 1 O4'-C1'-N19 111.866 5.083 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C4'-C3' 108.209 2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-C2' 102.134 -3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 0 O4'-C1'-N19 110.086 2.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 113.942 7.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 1 O4'-C1'-N19 113.085 6.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C4'-C3' 108.291 2.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 P-O3'-C3' 122.696 2.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 1 O4'-C1'-N19 111.796 4.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.787 0 O4'-C1'-N19 110.536 3.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.027 1 O4'-C1'-N19 111.204 4.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.624 0 O4'-C4'-C3' 108.398 2.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.203 0 C4'-C3'-C2' 100.803 -2.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -167.05 168.54 13.64 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.595 1.958 . . . . 0.0 105.856 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 81.78 136.19 0.06 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 127.249 2.22 . . . . 0.0 111.095 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -87.15 136.72 32.82 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 170.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.45 147.56 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.191 0.997 . . . . 0.0 108.871 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -72.97 112.82 9.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.706 1.603 . . . . 0.0 108.566 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -41.88 -35.15 0.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.097 2.159 . . . . 0.0 113.563 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.01 81.58 0.31 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.949 0.9 . . . . 0.0 109.608 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 65.35 0.08 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.482 2.313 . . . . 0.0 110.499 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -164.28 -50.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 130.016 3.327 . . . . 0.0 104.394 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.1 t -70.61 -51.65 26.74 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.12 40.43 66.7 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.882 0.754 . . . . 0.0 114.527 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.23 167.39 20.36 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.95 148.88 15.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.393 -0.817 . . . . 0.0 108.929 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -148.7 154.05 39.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.507 0.594 . . . . 0.0 110.052 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -45.17 62.78 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -89.9 137.66 32.15 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -176.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.12 -50.12 70.03 Favored 'General case' 0 C--O 1.227 -0.111 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.546 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -52.82 -42.27 64.98 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.729 0.812 . . . . 0.0 111.304 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.03 -48.9 72.22 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.6 -36.26 83.23 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.154 -0.341 . . . . 0.0 110.098 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.25 -47.4 82.56 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 120.811 -1.18 . . . . 0.0 109.537 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.02 -46.0 75.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -57.46 -54.19 49.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.789 174.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -52.11 -32.29 34.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 118.491 -0.766 . . . . 0.0 112.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.6 p -54.06 -30.86 49.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.727 1.149 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -51.57 -45.19 62.99 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.86 -47.34 7.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 112.165 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 p -85.41 -27.78 25.54 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -172.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.44 12.39 80.11 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -173.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.04 144.27 38.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.896 1.348 . . . . 0.0 110.2 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -132.48 79.13 65.93 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 124.323 1.049 . . . . 0.0 108.189 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.82 -27.13 10.76 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 125.224 3.949 . . . . 0.0 118.484 -175.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.87 81.59 2.66 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 119.243 0.929 . . . . 0.0 111.507 -174.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.15 156.12 37.86 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 121.716 1.611 . . . . 0.0 110.518 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.2 t -89.28 -37.23 15.09 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 53.05 30.81 10.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.064 0.945 . . . . 0.0 113.357 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.82 163.67 15.57 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.471 0.653 . . . . 0.0 109.491 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -56.56 108.09 0.45 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.619 1.167 . . . . 0.0 108.769 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.71 -48.77 2.99 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.1 t -75.76 59.42 1.2 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.573 1.549 . . . . 0.0 110.298 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 59.76 5.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -66.82 162.03 22.49 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 122.046 -0.409 . . . . 0.0 110.477 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.75 105.72 0.79 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.05 149.69 24.32 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.364 1.082 . . . . 0.0 110.248 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -93.37 -1.9 55.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.065 0.946 . . . . 0.0 113.247 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 p -150.92 153.67 35.7 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.624 1.102 . . . . 0.0 111.442 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.31 -38.56 89.86 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -47.38 85.74 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -55.66 -48.45 75.0 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.68 -44.97 90.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 110.76 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 m -58.82 -56.61 20.01 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 110.316 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -60.97 -40.82 94.85 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.999 -0.438 . . . . 0.0 110.09 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -56.17 -44.3 79.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.592 -0.693 . . . . 0.0 109.856 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.3 m -56.42 -20.42 19.64 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -32.9 70.77 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.483 -0.76 . . . . 0.0 109.597 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 p -68.37 -34.13 75.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.014 0.37 . . . . 0.0 111.436 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.12 -48.81 19.27 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.3 p -69.35 -24.71 63.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.553 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.54 61.03 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.04 61.96 4.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 122.076 0.941 . . . . 0.0 111.862 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -78.63 68.41 4.6 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -99.21 -14.78 19.16 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -74.47 88.6 2.12 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.446 1.021 . . . . 0.0 110.27 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.81 125.5 29.44 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.605 1.962 . . . . 0.0 111.429 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.62 118.67 8.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -75.24 72.92 2.34 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 t -148.55 113.15 5.35 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.51 132.89 30.33 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.507 0.723 . . . . 0.0 110.679 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.27 -56.47 4.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.94 47.5 0.65 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.529 1.132 . . . . 0.0 109.826 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.92 51.12 1.97 Allowed 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 120.869 -1.145 . . . . 0.0 109.579 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.21 134.75 50.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.59 136.95 40.57 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -119.13 161.97 19.41 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -46.33 80.46 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.576 1.55 . . . . 0.0 112.041 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.6 p -129.68 160.34 33.65 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.164 0.506 . . . . 0.0 110.625 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.08 -50.7 70.29 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.995 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.78 78.92 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.47 -178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.53 -44.23 96.87 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.921 1.237 . . . . 0.0 109.002 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -57.16 -44.51 83.56 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.11 -49.99 75.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.105 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -51.61 -52.61 46.16 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 119.327 0.967 . . . . 0.0 109.05 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -56.13 -54.02 50.13 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.339 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.37 -44.44 65.28 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.457 0.646 . . . . 0.0 110.692 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -63.31 -57.16 11.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.13 0.972 . . . . 0.0 109.857 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.14 -35.28 66.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.952 2.101 . . . . 0.0 113.123 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -107.53 -21.11 13.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -130.39 -60.98 0.98 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 119.969 1.258 . . . . 0.0 110.526 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.24 53.17 1.71 Allowed 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.677 -0.639 . . . . 0.0 110.816 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 pt -79.58 41.08 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.591 1.956 . . . . 0.0 111.516 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm . . . . . 0 CA--C 1.532 0.26 0 C-N-CA 126.464 1.906 . . . . 0.0 112.215 177.273 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 O4'-C1'-N19 110.268 3.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.041 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.793 0 P-O3'-C3' 123.3 3.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.596 1 O4'-C1'-N19 111.926 5.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 0 O4'-C1'-N19 109.623 2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C1'-N19 110.221 3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 2 O4'-C1'-N19 111.892 5.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 112.002 5.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.915 0 P-O3'-C3' 123.563 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.535 1 O4'-C1'-N19 112.068 5.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 P-O3'-C3' 123.071 2.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.834 1 O4'-C1'-N19 111.164 4.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.362 0 O4'-C1'-N19 110.072 2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.738 1 O4'-C1'-N19 111.064 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.435 4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.696 1 O4'-C1'-N19 111.429 4.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 109.965 2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.693 0 O4'-C4'-C3' 108.22 2.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 1 O4'-C1'-N19 111.754 4.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . 0.444 ' H72' ' HD2' ' A' ' 58' ' ' HIS . . . . . . . . 0 O4'--C4' 1.417 -2.602 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . 0.42 ' N4 ' ' CE1' ' A' ' 58' ' ' HIS . . . . . . . . 0 C5'--C4' 1.534 2.893 1 O4'-C1'-N19 111.372 4.465 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 1 O4'-C1'-N19 112.797 6.246 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 0 O4'-C4'-C3' 108.324 2.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 P-O3'-C3' 122.64 2.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.777 1 O4'-C1'-N19 111.617 4.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.79 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.603 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 0 P-O3'-C3' 122.67 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 O4'-C1'-N19 110.21 3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -100.39 141.2 33.57 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.33 162.67 21.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 126.667 1.987 . . . . 0.0 105.771 177.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -79.23 126.06 30.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 172.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -100.1 142.54 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.342 0.657 . . . . 0.0 110.353 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.3 t -61.21 121.38 12.41 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 110.161 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -44.05 -40.97 5.18 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.663 1.985 . . . . 0.0 113.051 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.46 63.85 1.52 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 109.473 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -14.5 -65.17 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.075 2.95 . . . . 0.0 115.519 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.79 -36.99 2.51 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.894 1.677 . . . . 0.0 113.146 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.39 -34.88 62.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.418 1.487 . . . . 0.0 111.896 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.0 25.68 62.24 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.238 0.923 . . . . 0.0 114.304 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.61 143.11 27.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.35 145.49 24.61 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -148.32 151.24 35.02 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.33 0.652 . . . . 0.0 109.563 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -82.06 -38.05 25.51 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 109.926 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -77.42 120.09 21.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.7 -48.77 74.56 Favored 'General case' 0 N--CA 1.458 -0.046 0 O-C-N 122.089 -0.382 . . . . 0.0 110.287 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.61 -40.45 65.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.694 0.798 . . . . 0.0 111.317 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -66.46 -46.22 77.13 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 tp -60.46 -39.85 89.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.801 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -60.12 -47.51 85.62 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.605 1.093 . . . . 0.0 109.586 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.74 -37.71 71.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.241 0.616 . . . . 0.0 110.514 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.62 -59.05 3.66 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.798 -0.564 . . . . 0.0 109.487 175.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -49.39 -35.04 17.8 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 125.135 1.374 . . . . 0.0 112.016 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 p -51.56 -32.92 30.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.487 0.585 . . . . 0.0 111.474 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.49 -38.51 81.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.826 0.451 . . . . 0.0 111.494 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.53 -47.93 7.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.485 0.714 . . . . 0.0 111.234 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -85.22 -30.47 23.84 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -172.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.77 7.23 88.34 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -78.42 137.47 38.0 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.957 1.379 . . . . 0.0 110.766 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -132.03 79.94 65.88 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.669 1.188 . . . . 0.0 108.112 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.33 -20.77 12.04 Favored 'Trans proline' 0 C--N 1.347 0.486 1 C-N-CA 125.356 4.037 . . . . 0.0 118.278 -174.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.37 79.11 2.08 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 119.471 1.032 . . . . 0.0 110.356 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.23 148.76 31.05 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.404 2.069 . . . . 0.0 110.789 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.8 t -90.49 88.73 7.27 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -73.25 47.24 0.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -94.36 152.16 18.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.277 1.031 . . . . 0.0 108.833 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -62.9 130.53 45.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -57.61 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.8 t -77.3 52.12 0.9 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.445 1.098 . . . . 0.0 110.589 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.23 64.84 5.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.987 0.915 . . . . 0.0 109.958 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -74.05 166.42 23.42 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.039 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.99 109.51 0.99 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 108.248 -1.941 . . . . 0.0 108.248 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -112.75 158.64 19.84 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.878 0.839 . . . . 0.0 109.514 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 p -99.46 -9.99 22.72 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.6 p -148.19 157.59 43.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.211 0.914 . . . . 0.0 109.81 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.09 -41.13 82.82 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.444 ' HD2' ' H72' ' F' ' 21' ' ' ' DT' . 9.2 t-80 -60.02 -55.02 39.16 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.158 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -53.25 -43.31 67.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.625 0.648 . . . . 0.0 109.385 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.89 -44.95 94.71 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.933 -0.479 . . . . 0.0 111.246 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.8 m -62.11 -49.63 75.14 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.359 -0.838 . . . . 0.0 110.66 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -40.43 97.4 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -55.59 -44.55 77.05 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.419 -0.801 . . . . 0.0 109.44 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 m -57.7 -15.56 8.22 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.11 -34.3 70.06 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.76 1.164 . . . . 0.0 109.081 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -63.16 -31.77 73.0 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.284 0.234 . . . . 0.0 111.343 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -83.81 -52.77 6.11 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.962 0.905 . . . . 0.0 109.996 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.4 p -65.7 -30.12 70.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.178 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 24.97 66.21 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.723 0.678 . . . . 0.0 111.668 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.38 55.1 1.84 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.086 0.945 . . . . 0.0 110.775 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -78.78 67.6 4.55 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.206 2.203 . . . . 0.0 105.744 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -107.51 -6.51 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -75.33 87.06 2.52 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.033 0.833 . . . . 0.0 108.983 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.9 m -82.12 123.87 29.35 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 126.464 1.906 . . . . 0.0 110.504 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.0 t -61.96 115.34 3.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -74.57 72.08 1.9 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 109.976 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -148.19 116.95 6.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.76 135.06 30.06 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.456 0.703 . . . . 0.0 110.483 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.54 -59.16 4.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.34 48.02 0.73 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.67 0.788 . . . . 0.0 109.996 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.08 53.27 2.4 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 120.928 -1.108 . . . . 0.0 108.812 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.5 mt -71.38 129.66 39.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -94.59 131.2 40.6 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.42 1.088 . . . . 0.0 109.16 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -118.68 157.27 27.77 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 111.184 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -69.8 -55.25 10.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.589 1.155 . . . . 0.0 111.381 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.3 p -115.13 152.97 31.62 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.235 0.614 . . . . 0.0 109.907 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -57.34 -40.56 78.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.01 89.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.624 -0.672 . . . . 0.0 111.249 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.404 1.002 . . . . 0.0 108.984 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.7 ttp -55.08 -46.4 75.45 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -61.54 -47.86 83.62 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.787 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -53.34 -49.35 67.29 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 119.764 1.165 . . . . 0.0 109.393 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -56.33 -54.57 43.85 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -52.55 -46.06 66.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.183 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -57.96 -67.44 0.34 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.347 1.059 . . . . 0.0 108.88 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -49.57 -37.26 26.68 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.931 1.692 . . . . 0.0 113.574 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -98.44 -68.56 0.8 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.774 0.829 . . . . 0.0 112.484 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -78.0 -37.5 46.99 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -31.83 63.95 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.062 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.6 mm -74.76 -52.31 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.48 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.162 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.555 4.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 0 P-O3'-C3' 123.048 2.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 1 O4'-C1'-N19 112.349 5.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.654 0 O4'-C1'-N19 109.973 2.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 0 P-O3'-C3' 122.464 2.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.005 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.684 1 O4'-C1'-N19 112.267 5.584 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 0 P-O3'-C3' 122.971 2.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.632 1 O4'-C1'-N19 112.545 5.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 P-O3'-C3' 123.087 2.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.809 0 O4'-C1'-C2' 102.756 -3.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.523 0 O4'-C1'-N19 110.169 2.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 P-O3'-C3' 122.37 2.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.183 0 O4'-C1'-N19 110.097 2.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.688 0 O4'-C1'-N19 110.167 2.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 0 P-O3'-C3' 123.177 2.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O4'-C1'-C2' 101.885 -3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 1 O4'-C1'-N19 113.122 6.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.111 2.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 1 O4'-C1'-N19 112.514 5.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.867 1 O4'-C1'-N19 112.038 5.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C4'-C3' 108.188 2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.595 0 P-O3'-C3' 122.801 2.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.883 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 O4'-C1'-N19 110.321 3.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.975 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C4'-C3' 108.0 2.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 O4'-C1'-N19 110.238 3.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.8 mtp . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 119.485 -0.293 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -51.68 123.73 10.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.636 1.175 . . . . 0.0 112.127 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.27 124.46 29.35 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.494 0.318 . . . . 0.0 110.483 176.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -79.33 142.37 36.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 168.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.41 142.89 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.574 0.749 . . . . 0.0 109.687 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.41 120.33 10.27 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.617 1.167 . . . . 0.0 110.138 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.5 -42.67 3.39 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.811 2.045 . . . . 0.0 112.766 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -75.5 63.87 1.55 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.624 1.169 . . . . 0.0 109.31 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -15.42 -64.09 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 129.082 2.953 . . . . 0.0 115.452 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.05 -36.75 2.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.766 1.626 . . . . 0.0 113.201 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.5 t -55.02 -34.1 63.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.304 1.442 . . . . 0.0 111.866 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 22.32 62.44 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.496 1.046 . . . . 0.0 114.909 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.85 141.92 28.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.54 1.17 . . . . 0.0 108.907 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.45 144.98 21.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.732 -0.652 . . . . 0.0 109.382 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -154.42 148.5 25.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.504 0.593 . . . . 0.0 110.08 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.81 -53.01 20.22 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -72.95 113.16 9.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.516 0.674 . . . . 0.0 110.675 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -35.66 -56.01 0.68 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 127.372 2.269 . . . . 0.0 111.686 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -54.29 -37.64 65.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.428 1.091 . . . . 0.0 112.983 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -68.2 -46.12 71.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -38.63 91.84 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -59.72 -48.36 81.99 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.82 -1.175 . . . . 0.0 109.891 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.41 75.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -59.73 -54.76 42.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.949 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 mp -48.99 -41.66 35.15 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.51 -0.744 . . . . 0.0 112.347 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.8 p -50.82 -32.61 20.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.712 0.687 . . . . 0.0 111.875 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -55.39 -40.87 71.91 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.001 0.521 . . . . 0.0 110.949 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.97 -51.37 5.23 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.988 0.915 . . . . 0.0 111.618 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 p -77.68 -30.17 51.8 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.294 1.438 . . . . 0.0 114.138 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.87 9.84 79.88 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -78.04 144.65 36.43 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.898 1.349 . . . . 0.0 110.45 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -132.53 77.33 70.03 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 0.0 109.399 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.4 -25.1 9.74 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 125.131 3.887 . . . . 0.0 118.5 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.51 79.17 2.21 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 119.748 1.158 . . . . 0.0 112.391 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.93 148.34 45.36 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 121.962 1.775 . . . . 0.0 109.818 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.01 -6.64 48.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.976 0.91 . . . . 0.0 113.413 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 72.04 -46.72 0.65 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.354 1.862 . . . . 0.0 113.884 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -48.93 118.84 2.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.286 1.034 . . . . 0.0 111.734 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -73.06 65.54 0.78 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.708 1.603 . . . . 0.0 110.097 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.18 -68.73 0.1 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.3 t -79.76 55.34 2.02 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.58 62.14 4.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.473 -0.767 . . . . 0.0 110.484 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -71.57 154.71 41.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.39 102.22 0.86 Allowed Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.537 -2.225 . . . . 0.0 107.537 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.99 147.17 24.77 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.083 0.941 . . . . 0.0 109.854 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -90.26 -9.6 47.37 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.5 p -147.05 154.18 40.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.941 0.791 . . . . 0.0 111.064 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.02 -33.23 74.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.595 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -63.81 -46.32 85.67 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.491 -0.755 . . . . 0.0 110.297 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.13 -47.9 77.26 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 tp -54.75 -45.67 74.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.363 0.665 . . . . 0.0 110.075 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.2 m -58.54 -53.71 55.28 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.991 0.516 . . . . 0.0 110.223 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -63.92 -39.31 93.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.428 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -56.16 -43.5 78.38 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.281 -0.887 . . . . 0.0 109.638 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 m -55.3 -19.8 9.56 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.3 -34.43 68.69 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.205 0.911 . . . . 0.0 109.586 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 p -68.3 -34.96 77.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.948 0.499 . . . . 0.0 111.533 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -76.82 -46.88 23.17 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.9 p -67.79 -27.34 66.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.36 0.264 . . . . 0.0 110.837 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.62 30.66 47.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -79.93 50.28 1.18 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.91 0.862 . . . . 0.0 111.604 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -81.29 66.86 7.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -124.48 6.23 8.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -76.78 86.44 3.38 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -77.37 122.44 25.15 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.551 1.94 . . . . 0.0 111.044 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.8 t -61.91 117.71 6.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -74.48 73.76 1.92 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 t -148.94 113.61 5.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.15 131.64 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.836 0.854 . . . . 0.0 110.902 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.52 -55.88 4.87 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.61 44.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.974 1.309 . . . . 0.0 109.991 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -83.61 53.39 2.51 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.965 -1.084 . . . . 0.0 109.605 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.26 132.45 45.73 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -98.75 116.61 31.37 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.432 1.093 . . . . 0.0 109.879 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -100.83 161.96 13.23 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.58 0.752 . . . . 0.0 111.074 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -70.21 -55.73 8.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.043 1.337 . . . . 0.0 110.84 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.5 p -109.84 152.97 25.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 110.471 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -55.28 -45.68 76.16 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.98 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.397 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.28 -44.0 95.72 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.898 1.226 . . . . 0.0 108.778 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -58.01 -46.12 85.78 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.53 -51.09 71.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.593 0.633 . . . . 0.0 110.087 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -52.92 -53.8 44.16 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.645 0.778 . . . . 0.0 109.441 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -55.28 -53.7 52.73 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.105 0.411 . . . . 0.0 110.265 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -53.25 -46.61 69.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.689 0.757 . . . . 0.0 109.662 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -59.85 -62.97 1.48 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.164 0.586 . . . . 0.0 109.757 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -45.9 -46.75 16.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.293 2.237 . . . . 0.0 112.309 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -94.25 -25.04 17.21 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -122.75 -30.05 3.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.059 1.3 . . . . 0.0 113.598 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -85.32 -66.74 0.86 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.4 pt -90.58 6.12 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 123.302 0.641 . . . . 0.0 112.427 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm . . . . . 0 CA--C 1.532 0.261 0 C-N-CA 123.77 0.828 . . . . 0.0 111.548 178.532 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-N19 110.531 3.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.224 0 O4'-C1'-N19 110.294 3.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.099 4.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 P-O3'-C3' 122.944 2.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.528 1 O4'-C1'-N19 112.235 5.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 0 O4'-C1'-N19 110.904 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.655 0 N19-C1'-C2' 109.25 -3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 112.184 5.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.496 4.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 0 O4'-C1'-C2' 102.774 -3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.445 1 O4'-C1'-N19 112.591 5.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 P-O3'-C3' 122.596 2.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.764 0 O4'-C1'-C2' 102.847 -2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 0 C1'-O4'-C4' 105.397 -3.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 O4'-C1'-N19 110.621 3.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.741 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 C3'-C2'-C1' 99.382 -2.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O3'-C3' 122.774 2.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.794 1 O4'-C1'-C2' 101.372 -4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.872 1 O4'-C1'-N19 112.958 6.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.667 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.85 1 O4'-C1'-N19 113.655 7.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.607 1 O4'-C1'-N19 113.653 7.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.085 0 O4'-C4'-C3' 108.266 2.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 P-O3'-C3' 122.829 2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 O4'-C1'-C2' 102.931 -2.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 1 O4'-C1'-N19 111.583 4.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C4'-C3' 108.118 2.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 121.516 0.674 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -76.93 112.2 13.28 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -59.65 119.3 7.34 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -77.86 136.59 38.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.1 mt -106.68 144.23 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.958 0.903 . . . . 0.0 110.289 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.63 119.49 10.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.821 1.249 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.44 -41.06 5.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.745 2.018 . . . . 0.0 112.349 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -75.37 66.11 1.76 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.34 1.056 . . . . 0.0 108.822 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -18.36 -61.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 129.026 2.93 . . . . 0.0 115.077 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.09 -38.36 2.34 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.809 1.644 . . . . 0.0 113.02 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -56.05 -35.87 67.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.862 1.265 . . . . 0.0 112.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.25 27.38 60.26 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.18 0.895 . . . . 0.0 113.982 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.05 142.68 27.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.52 145.95 24.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 118.418 -0.801 . . . . 0.0 108.889 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -149.01 149.25 30.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.415 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -53.47 -50.54 65.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.286 1.434 . . . . 0.0 114.111 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -95.79 143.47 26.99 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.53 -49.13 73.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.322 175.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.0 p-90 -54.16 -40.88 67.88 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.286 0.494 . . . . 0.0 111.501 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -67.05 -48.37 68.5 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.06 -44.1 93.45 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -47.01 77.63 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.269 -0.894 . . . . 0.0 110.125 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.94 71.79 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -49.73 -49.53 47.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.809 0.731 . . . . 0.0 110.625 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -54.05 -22.37 10.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.672 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 p -54.84 -33.15 61.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.695 1.134 . . . . 0.0 110.531 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -53.12 -45.73 68.43 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 123.238 0.615 . . . . 0.0 111.611 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -90.17 -46.1 8.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.459 0.703 . . . . 0.0 111.921 -174.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -83.95 -26.97 28.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -174.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.99 9.92 80.36 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -78.38 156.82 29.29 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.525 1.163 . . . . 0.0 111.671 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -134.18 76.56 63.13 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.81 -24.56 3.12 Favored 'Trans proline' 0 CA--C 1.534 0.485 1 C-N-CA 126.091 4.527 . . . . 0.0 119.012 -173.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -113.65 84.99 8.7 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 111.23 -175.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.01 142.61 28.04 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.279 1.986 . . . . 0.0 111.261 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -90.44 93.01 9.13 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -76.01 50.82 0.62 Allowed 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.474 -0.766 . . . . 0.0 112.391 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.08 159.86 14.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.44 1.496 . . . . 0.0 109.917 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.48 123.27 20.35 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.28 -52.92 3.06 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.228 0.442 . . . . 0.0 112.269 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.46 55.71 1.03 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.811 1.244 . . . . 0.0 110.62 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.97 64.46 4.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.611 0.765 . . . . 0.0 109.614 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -73.0 164.29 26.92 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.672 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.03 107.81 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.39 -2.684 . . . . 0.0 106.39 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -101.66 147.63 26.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.092 0.946 . . . . 0.0 110.115 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -85.66 -17.87 34.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.19 0.996 . . . . 0.0 112.962 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.0 p -142.02 155.46 45.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.293 0.951 . . . . 0.0 112.04 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.18 -39.89 88.05 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.369 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -43.23 94.85 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.912 -0.566 . . . . 0.0 110.276 178.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -55.64 -46.63 77.43 Favored 'General case' 0 C--N 1.344 0.327 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.34 -45.75 92.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.139 0.495 . . . . 0.0 110.65 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.9 m -57.49 -56.03 27.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 110.186 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -63.27 -38.89 92.94 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.865 -0.522 . . . . 0.0 110.166 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -55.77 -41.37 73.93 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.377 -0.827 . . . . 0.0 109.546 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -56.17 -19.24 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.98 -33.38 70.6 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.271 -0.893 . . . . 0.0 109.463 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -67.64 -34.64 77.37 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.181 0.446 . . . . 0.0 111.367 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -77.31 -50.59 12.5 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.1 p -67.64 -28.58 67.84 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.269 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.16 67.02 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.663 1.125 . . . . 0.0 111.318 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -79.77 50.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.295 1.047 . . . . 0.0 112.353 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -78.79 63.44 3.53 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.329 2.251 . . . . 0.0 107.63 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -99.25 0.57 43.42 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -75.87 83.7 2.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.963 1.256 . . . . 0.0 109.79 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -79.66 119.42 22.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 127.511 2.324 . . . . 0.0 110.51 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.1 t -59.93 114.98 3.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.98 72.65 2.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -144.44 116.29 8.27 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.49 129.35 18.89 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.995 0.918 . . . . 0.0 110.898 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.56 -54.68 4.63 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.7 t -77.54 48.53 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.713 1.205 . . . . 0.0 109.969 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.64 52.86 2.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 120.951 -1.093 . . . . 0.0 109.574 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.31 131.73 45.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -97.21 125.86 42.02 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 124.893 1.277 . . . . 0.0 108.953 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -114.8 159.41 20.64 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.876 0.87 . . . . 0.0 111.432 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -69.24 -39.98 78.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.177 1.391 . . . . 0.0 112.409 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.9 p -132.76 156.84 46.35 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.259 0.552 . . . . 0.0 110.582 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.01 -42.96 91.4 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.585 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.562 -0.711 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.6 -47.05 87.11 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.905 0.775 . . . . 0.0 108.977 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.3 ttp -55.3 -48.71 73.7 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.022 0.529 . . . . 0.0 110.369 176.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -59.63 -50.96 71.83 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.875 0.87 . . . . 0.0 110.299 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -55.35 -46.65 76.41 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.764 0.711 . . . . 0.0 109.801 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -57.89 -55.1 39.28 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.238 0.472 . . . . 0.0 109.853 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -51.65 -44.58 63.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.742 0.782 . . . . 0.0 109.403 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -60.76 -61.78 2.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.825 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -46.75 -46.91 20.74 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.996 1.318 . . . . 0.0 112.557 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -95.33 -23.25 17.28 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -125.35 -23.56 4.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.809 1.186 . . . . 0.0 113.713 -173.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -91.27 -65.45 1.01 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.554 1.07 . . . . 0.0 108.372 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.9 pt -91.45 -7.5 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.5 mptt . . . . . 0 CA--C 1.533 0.301 0 C-N-CA 123.925 0.89 . . . . 0.0 110.188 -179.36 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.478 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.714 4.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.51 0 P-O3'-C3' 123.911 3.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.633 1 O4'-C1'-N19 111.454 4.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.644 0 O4'-C1'-N19 110.897 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 N19-C1'-C2' 109.257 -3.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.31 2 O4'-C1'-N19 113.635 7.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 C5'-C4'-C3' 110.948 -2.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.099 0 O4'-C1'-C2' 103.316 -2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.34 0 O4'-C1'-N19 110.302 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 0 O4'-C1'-N19 110.219 3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.01 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.488 0 P-O3'-C3' 122.856 2.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.698 0 O4'-C1'-N19 110.294 3.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.586 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 O4'-C1'-N19 110.416 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 P-O3'-C3' 122.846 2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . 0.401 " H2'" ' H72' ' F' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.833 1 O4'-C1'-N19 112.196 5.495 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . 0.401 ' H72' " H2'" ' F' ' 20' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O4'-C1'-N19 110.106 2.882 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 2 O4'-C1'-N19 116.432 10.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.856 1 O4'-C1'-N19 113.332 6.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 C5'-C4'-C3' 110.817 -2.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.082 0 P-O3'-C3' 122.61 2.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.734 0 P-O3'-C3' 123.308 3.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.59 0 O4'-C1'-C2' 102.433 -3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.017 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.532 0 O4'-C4'-C3' 108.113 2.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 0 O4'-C1'-N19 110.601 3.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 ptm . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -58.06 140.92 51.56 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -72.81 100.1 2.8 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -76.64 130.16 37.41 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.8 mt -88.9 144.62 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.613 0.765 . . . . 0.0 112.627 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.89 127.88 34.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.351 1.86 . . . . 0.0 110.44 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.17 -43.25 9.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.137 1.775 . . . . 0.0 112.422 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -75.89 64.74 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.907 0.883 . . . . 0.0 109.073 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.23 -62.47 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.797 2.839 . . . . 0.0 115.336 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.13 -37.56 2.09 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.862 1.665 . . . . 0.0 113.129 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.01 -35.76 59.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.448 1.499 . . . . 0.0 112.038 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.62 23.22 62.67 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.898 0.761 . . . . 0.0 114.1 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.09 144.27 26.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.73 144.52 24.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.333 -0.842 . . . . 0.0 109.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -146.06 156.06 43.21 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.889 0.768 . . . . 0.0 112.118 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -73.12 -29.99 63.3 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -173.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -114.62 142.51 46.36 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.623 0.769 . . . . 0.0 110.364 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.37 -47.76 80.8 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.614 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -53.52 -41.48 66.42 Favored 'General case' 0 C--N 1.341 0.236 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -66.58 -46.74 74.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.98 -40.05 79.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.52 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -61.7 -45.73 92.72 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.699 0.682 . . . . 0.0 109.83 177.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.98 68.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.435 0.694 . . . . 0.0 110.228 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -69.03 -59.28 3.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.3 mt -48.96 -30.82 6.43 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 125.009 1.323 . . . . 0.0 112.751 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 p -49.79 -34.86 20.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.711 0.687 . . . . 0.0 111.108 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.1 -35.79 77.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.786 0.434 . . . . 0.0 111.941 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -90.22 -48.18 7.32 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.165 0.586 . . . . 0.0 111.151 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -87.2 -28.14 22.58 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 9.44 86.98 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -172.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -77.54 139.98 39.66 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.861 1.331 . . . . 0.0 111.405 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -135.53 80.08 45.93 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.74 -25.95 4.12 Favored 'Trans proline' 0 C--N 1.348 0.507 1 C-N-CA 125.853 4.369 . . . . 0.0 118.76 -174.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.32 80.34 2.5 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 119.182 0.901 . . . . 0.0 110.634 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.91 150.58 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.54 2.16 . . . . 0.0 111.61 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.8 t -91.18 82.94 5.49 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -73.28 51.54 0.33 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -95.23 158.38 15.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.048 1.339 . . . . 0.0 108.731 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mp0 -64.41 129.16 38.81 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.03 -57.14 3.15 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.943 -0.473 . . . . 0.0 112.318 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.6 t -77.27 51.43 0.85 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.263 1.025 . . . . 0.0 110.933 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.32 66.29 4.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.896 0.879 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -74.75 167.45 21.79 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.145 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.45 113.0 1.28 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -115.0 150.2 36.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.056 0.928 . . . . 0.0 109.789 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -87.29 -12.38 46.74 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -146.46 160.27 42.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.18 0.9 . . . . 0.0 109.466 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.89 -42.65 99.85 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -67.67 -39.46 84.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.866 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -58.22 -47.12 84.48 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.07 -42.45 90.39 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.407 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 m -61.04 -52.8 63.45 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.592 -0.693 . . . . 0.0 111.039 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -55.77 -39.53 71.35 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.723 0.692 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.23 -49.95 73.7 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.4 m -51.21 -31.38 20.24 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.591 0.756 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.5 mt -50.49 -31.98 16.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.56 0.618 . . . . 0.0 111.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.5 p -64.72 -29.86 70.86 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.162 -0.336 . . . . 0.0 111.715 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.24 -48.79 15.0 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 123.915 0.886 . . . . 0.0 109.453 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.1 p -71.44 -24.83 62.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.379 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.49 33.04 44.71 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.11 56.87 2.53 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 122.011 0.91 . . . . 0.0 111.217 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -78.99 77.31 5.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -122.99 -4.27 8.54 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.83 86.42 2.81 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.99 1.268 . . . . 0.0 108.351 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.9 m -77.27 118.53 19.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.065 1.746 . . . . 0.0 111.356 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.49 117.4 4.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -75.22 70.95 2.2 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.867 0.467 . . . . 0.0 110.156 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -147.17 118.54 7.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.74 139.31 26.83 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.95 0.5 . . . . 0.0 109.794 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.79 -61.05 4.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.24 49.34 0.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.646 0.778 . . . . 0.0 110.233 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -83.07 51.71 2.01 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 120.993 -1.067 . . . . 0.0 108.739 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.78 129.85 39.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -98.68 123.04 42.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.92 160.92 14.4 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.041 0.936 . . . . 0.0 110.613 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -70.41 -38.44 74.61 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.671 1.188 . . . . 0.0 112.217 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.0 p -131.17 156.42 45.34 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.309 0.504 . . . . 0.0 110.2 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -57.05 -45.71 82.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.59 87.87 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.762 -0.637 . . . . 0.0 111.535 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.8 -44.88 96.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.597 1.089 . . . . 0.0 108.972 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.1 ttp -56.47 -47.98 78.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.975 0.51 . . . . 0.0 109.864 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -58.42 -50.19 74.6 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.346 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.8 -48.86 72.23 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.328 0.967 . . . . 0.0 109.641 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -53.36 -52.15 60.17 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -56.7 -46.8 81.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.167 0.508 . . . . 0.0 111.149 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.04 -37.33 76.74 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.577 1.551 . . . . 0.0 110.634 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -79.2 -38.1 36.62 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.059 0.944 . . . . 0.0 111.456 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -97.92 -74.28 0.58 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -174.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.28 -28.98 61.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.008 0.523 . . . . 0.0 112.374 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -70.45 -31.84 69.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mt -98.36 35.73 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt . . . . . 0 C--N 1.341 0.198 0 C-N-CA 124.472 1.109 . . . . 0.0 110.814 -177.817 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C4'-C3' 108.114 2.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 0 O4'-C1'-N19 110.335 3.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 1 O4'-C1'-N19 111.639 4.798 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 P-O3'-C3' 123.556 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 1 O4'-C1'-N19 112.179 5.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.576 0 O4'-C1'-N19 110.973 3.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 0 N19-C1'-C2' 108.606 -3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.466 2 O4'-C1'-N19 112.648 6.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 112.043 5.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 0 P-O3'-C3' 123.417 3.097 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.477 1 O4'-C1'-N19 112.493 5.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 P-O3'-C3' 123.124 2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.729 0 O4'-C1'-C2' 102.997 -2.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.471 0 C1'-O4'-C4' 105.6 -2.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 0 O4'-C1'-N19 110.558 3.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 1 O4'-C1'-N19 111.66 4.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.558 0 O4'-C1'-N19 110.192 2.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.866 0 P-O3'-C3' 122.817 2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 1 O4'-C1'-C2' 101.571 -4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 1 O4'-C1'-N19 112.931 6.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.505 0 O4'-C1'-N19 110.443 3.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.134 0 O4'-C1'-N19 110.344 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 1 O4'-C1'-N19 113.637 7.296 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 0 O4'-C4'-C3' 108.352 2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.693 0 O4'-C4'-C3' 108.008 2.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.829 1 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.701 0 O4'-C1'-C2' 102.754 -3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.058 0 O4'-C1'-N19 110.917 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 0 C4'-C3'-C2' 100.825 -2.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.494 0 P-O3'-C3' 123.482 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.96 0.41 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -75.63 142.19 42.67 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -134.23 148.29 50.82 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -80.28 133.54 35.98 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 104.391 -2.448 . . . . 0.0 104.391 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 143.98 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.886 0.875 . . . . 0.0 109.963 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.51 117.24 7.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.716 1.206 . . . . 0.0 110.197 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -43.2 -40.32 3.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 126.923 2.089 . . . . 0.0 112.905 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.71 65.33 1.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.482 1.113 . . . . 0.0 109.336 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -16.89 -63.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 129.009 2.923 . . . . 0.0 115.241 -177.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.81 -37.86 2.98 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.722 1.609 . . . . 0.0 113.059 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.6 t -56.23 -34.65 66.54 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.017 1.327 . . . . 0.0 112.031 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.7 27.17 61.16 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.405 1.002 . . . . 0.0 114.193 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.85 142.98 27.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 118.103 0.952 . . . . 0.0 108.918 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.78 148.94 25.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -147.29 158.67 44.05 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.005 0.522 . . . . 0.0 110.546 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -75.02 -53.12 9.47 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 124.042 0.937 . . . . 0.0 111.559 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -82.19 129.38 34.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.795 -0.565 . . . . 0.0 110.758 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -49.37 -48.8 46.54 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.403 0.681 . . . . 0.0 111.296 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -55.62 -36.57 67.11 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.103 0.961 . . . . 0.0 112.562 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -66.86 -48.24 69.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.51 -35.03 79.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.021 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.07 -50.44 73.71 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 120.705 -1.247 . . . . 0.0 109.359 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.79 79.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -57.81 -54.26 48.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.185 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.01 -36.57 63.13 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.736 -0.603 . . . . 0.0 111.964 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.5 p -54.38 -31.33 54.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.217 0.917 . . . . 0.0 111.615 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.01 -39.5 74.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.31 0.504 . . . . 0.0 111.066 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -90.75 -49.88 6.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.447 0.699 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.2 p -80.28 -30.62 38.32 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -172.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.13 8.1 82.8 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -172.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.79 152.61 31.3 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.824 1.312 . . . . 0.0 110.684 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -131.55 77.28 73.59 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.477 1.111 . . . . 0.0 108.278 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -50.99 -21.03 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.388 1 C-N-CA 125.588 4.192 . . . . 0.0 118.694 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -112.1 79.03 2.59 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 119.778 1.172 . . . . 0.0 111.133 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.29 139.18 28.75 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.669 2.246 . . . . 0.0 110.019 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.81 -20.85 48.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.958 0.903 . . . . 0.0 111.381 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 66.38 -38.82 0.31 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.922 2.089 . . . . 0.0 116.337 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -42.96 137.46 2.37 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.266 1.026 . . . . 0.0 112.773 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -55.2 130.9 43.92 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.6 -61.74 3.58 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.11 47.51 0.67 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.507 1.123 . . . . 0.0 110.432 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -84.71 60.21 6.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.99 155.74 35.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.252 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.28 100.53 0.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 106.764 -2.535 . . . . 0.0 106.764 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -96.55 148.77 22.49 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.274 1.037 . . . . 0.0 109.97 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 p -96.18 -7.57 35.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.397 1.079 . . . . 0.0 112.194 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 p -147.08 139.06 24.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.599 0.636 . . . . 0.0 111.841 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.49 -45.82 73.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.48 1.112 . . . . 0.0 110.334 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -56.27 -44.35 79.68 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -63.14 -47.44 82.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.6 -45.6 77.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.464 0.649 . . . . 0.0 110.267 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -56.85 -57.48 12.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.505 0.722 . . . . 0.0 110.167 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -67.64 -32.69 73.55 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.126 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.52 -42.97 71.48 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.175 -0.953 . . . . 0.0 108.806 174.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.5 m -53.81 -23.98 14.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.97 -33.85 58.1 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.433 1.015 . . . . 0.0 110.499 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.9 p -65.14 -30.73 71.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.373 0.269 . . . . 0.0 110.965 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.74 -49.05 12.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 124.348 1.059 . . . . 0.0 109.551 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 p -70.23 -23.72 62.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.483 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.84 55.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.01 46.26 0.79 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.758 -0.848 . . . . 0.0 111.936 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.82 66.62 4.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.968 2.107 . . . . 0.0 108.46 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -112.57 1.83 15.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -173.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -75.13 88.11 2.44 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 120.022 1.283 . . . . 0.0 109.574 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.5 m -77.02 119.62 20.99 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 126.313 1.845 . . . . 0.0 111.949 -173.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.69 122.16 12.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -75.38 68.85 2.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.062 0.945 . . . . 0.0 109.819 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -148.05 116.75 6.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.85 135.69 41.58 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.294 0.638 . . . . 0.0 110.151 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.13 -58.08 4.84 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.4 t -78.21 49.94 0.87 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.749 0.819 . . . . 0.0 109.923 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -83.19 52.13 2.13 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.925 -1.109 . . . . 0.0 108.864 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.52 129.76 40.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -101.39 121.01 41.15 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -105.16 166.74 10.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.36 1.064 . . . . 0.0 111.925 -175.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -67.59 -54.81 16.67 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.377 1.871 . . . . 0.0 112.945 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.8 p -126.47 155.83 41.64 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.37 -40.24 61.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.116 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.71 -27.72 69.46 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.172 0.896 . . . . 0.0 112.807 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -67.0 -46.99 72.86 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.99 -45.73 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.02 0.928 . . . . 0.0 109.462 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.03 -50.55 72.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.494 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -50.76 -52.97 35.6 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 119.321 0.964 . . . . 0.0 109.061 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -53.59 -54.01 43.6 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.626 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.4 -49.16 73.09 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.327 0.512 . . . . 0.0 110.963 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -54.63 -44.63 73.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.774 1.629 . . . . 0.0 110.27 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -74.87 -32.06 61.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 112.299 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -104.86 -78.13 0.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -174.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -75.79 -24.97 56.01 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 124.028 0.931 . . . . 0.0 113.235 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -72.35 -29.69 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.5 mt -81.95 -56.12 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.216 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.67 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.127 0 P-O3'-C3' 122.725 2.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 1 O4'-C1'-N19 111.484 4.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 P-O3'-C3' 123.183 2.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.556 1 O4'-C1'-N19 112.054 5.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.137 2.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.065 2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 0 O4'-C1'-N19 110.983 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.313 0 O4'-C1'-N19 110.872 3.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.685 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.126 0 O4'-C1'-N19 109.71 2.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 1 O4'-C1'-N19 111.829 5.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 O4'-C1'-N19 110.384 3.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 0 O4'-C1'-N19 110.922 3.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.689 0 O4'-C1'-C2' 102.899 -2.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 1 O4'-C1'-N19 112.554 5.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.309 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C1'-C2' 102.712 -3.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-N19 113.487 7.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 109.861 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 1 O4'-C1'-N19 113.183 6.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 1 O4'-C1'-N19 112.848 6.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C4'-C3' 108.247 2.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.738 0 P-O3'-C3' 122.635 2.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.996 1 O4'-C1'-N19 111.737 4.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 O4'-C1'-C2' 103.188 -2.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.903 1 O4'-C1'-N19 111.662 4.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C4'-C3' 108.116 2.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.673 0 O4'-C1'-N19 110.143 2.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.478 ' H1 ' ' HE3' ' A' ' 26' ' ' LYS . 22.7 mmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -65.22 112.95 3.67 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -53.31 112.09 0.82 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -78.63 130.94 36.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.34 141.61 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.2 118.75 7.25 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.087 1.755 . . . . 0.0 110.775 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -50.05 -33.75 19.33 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.212 1.805 . . . . 0.0 113.197 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -70.79 76.18 0.62 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.723 0.809 . . . . 0.0 109.011 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.4 69.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.966 2.507 . . . . 0.0 113.58 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -172.28 -50.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 130.143 3.377 . . . . 0.0 104.862 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -83.32 72.42 10.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.73 53.89 0.22 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 127.132 2.301 . . . . 0.0 113.774 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.59 152.4 20.3 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.623 1.169 . . . . 0.0 108.057 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.94 144.52 22.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.319 -0.848 . . . . 0.0 108.979 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -148.21 148.68 30.79 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -34.96 -51.68 0.52 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.818 2.447 . . . . 0.0 116.717 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HE3' ' H1 ' ' A' ' 1' ' ' MET . 28.8 mmtp -123.04 155.59 36.57 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -54.53 -48.14 72.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.675 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 -58.71 -39.52 81.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.596 0.758 . . . . 0.0 110.065 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -48.73 76.38 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.34 -42.74 87.54 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.017 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.56 -45.7 84.83 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 119.322 0.965 . . . . 0.0 110.215 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.24 76.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.298 -0.251 . . . . 0.0 110.685 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -65.95 -55.71 15.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.661 174.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.39 -34.43 34.38 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 124.34 1.056 . . . . 0.0 112.267 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -52.26 -30.33 27.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.733 0.697 . . . . 0.0 111.282 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.53 -35.68 72.67 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.981 0.512 . . . . 0.0 110.629 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -90.36 -51.13 5.58 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.302 1.041 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 p -87.31 -24.46 24.3 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -170.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.13 10.09 77.59 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.88 143.5 37.7 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.664 1.232 . . . . 0.0 109.75 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -131.18 77.95 73.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -46.5 -27.29 4.96 Favored 'Trans proline' 0 C--N 1.345 0.393 1 C-N-CA 125.421 4.08 . . . . 0.0 119.009 -174.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.1 83.15 3.61 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 119.685 1.13 . . . . 0.0 111.715 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.78 141.61 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.186 1.924 . . . . 0.0 110.918 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.55 85.83 7.15 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -75.04 55.84 0.74 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.374 -0.829 . . . . 0.0 111.774 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -94.3 170.91 9.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.098 1.759 . . . . 0.0 109.854 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.51 113.67 7.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 -46.82 2.04 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.408 0.527 . . . . 0.0 113.571 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.8 t -75.66 57.78 1.02 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.788 1.235 . . . . 0.0 111.012 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -78.84 65.53 4.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.77 0.828 . . . . 0.0 110.496 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -73.36 162.51 29.25 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.27 104.59 0.82 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 106.844 -2.502 . . . . 0.0 106.844 176.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.74 140.92 34.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.202 1.001 . . . . 0.0 109.094 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -81.94 -12.1 58.55 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.694 -0.628 . . . . 0.0 112.487 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 p -148.06 155.7 41.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.385 0.993 . . . . 0.0 112.126 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.893 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -60.93 -46.0 92.42 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.719 -0.613 . . . . 0.0 110.348 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -56.81 -48.42 78.01 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.6 -42.35 74.7 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.27 0.628 . . . . 0.0 110.159 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.9 m -61.44 -54.67 40.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.119 0.568 . . . . 0.0 109.932 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -62.39 -38.25 88.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.004 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -58.36 -45.37 88.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.541 -0.724 . . . . 0.0 110.557 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 p -55.07 -22.02 14.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.73 -33.62 68.63 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.733 -0.604 . . . . 0.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 p -69.62 -33.15 72.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.087 0.403 . . . . 0.0 111.553 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -76.94 -50.32 13.53 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.4 p -68.96 -29.31 67.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.947 0.499 . . . . 0.0 111.515 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.29 23.07 59.48 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.538 1.066 . . . . 0.0 110.548 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.89 51.61 1.14 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.059 0.929 . . . . 0.0 112.215 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -79.37 62.71 3.79 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.658 1.983 . . . . 0.0 107.843 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -102.38 -1.47 30.8 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -172.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -75.73 84.79 2.73 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.747 1.158 . . . . 0.0 109.635 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -79.74 122.03 26.08 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.242 2.217 . . . . 0.0 110.71 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.91 115.96 4.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -74.33 74.87 1.87 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.3 t -149.42 112.67 4.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.08 131.9 23.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.671 0.789 . . . . 0.0 110.916 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.59 -56.31 4.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.8 t -77.76 44.81 0.47 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.841 1.256 . . . . 0.0 109.984 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -83.79 53.01 2.41 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 120.901 -1.124 . . . . 0.0 109.66 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.89 133.08 47.75 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -97.81 123.66 41.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 125.05 1.34 . . . . 0.0 108.879 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -112.98 158.46 20.23 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.836 0.855 . . . . 0.0 111.527 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.7 p -69.17 -42.92 75.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.838 1.255 . . . . 0.0 111.984 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.5 p -127.02 155.84 42.59 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 110.691 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -59.26 -40.93 87.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.47 98.61 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.795 -0.566 . . . . 0.0 110.809 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.07 -46.15 89.01 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.242 0.928 . . . . 0.0 109.224 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 52.7 ttp -55.03 -49.04 72.54 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.896 0.479 . . . . 0.0 109.921 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.04 -48.48 81.55 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.592 0.757 . . . . 0.0 110.414 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.42 -51.62 64.32 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 119.359 0.981 . . . . 0.0 109.386 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -54.94 -54.97 35.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.698 0.285 . . . . 0.0 110.308 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -52.77 -44.68 66.7 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.711 0.767 . . . . 0.0 109.557 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.41 -61.8 2.33 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -47.23 -48.93 24.16 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.102 1.361 . . . . 0.0 112.38 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -92.13 -23.74 19.33 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -173.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.73 -28.0 3.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.864 1.211 . . . . 0.0 113.695 -173.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -86.89 -65.12 1.05 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.51 1.05 . . . . 0.0 108.631 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.2 pt -91.08 -3.87 10.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 123.021 0.529 . . . . 0.0 112.424 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 124.111 0.964 . . . . 0.0 110.444 -179.646 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.633 0 O4'-C1'-N19 110.487 3.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-N19 110.033 2.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.566 1 O4'-C1'-N19 111.346 4.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 P-O3'-C3' 123.441 3.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.59 1 O4'-C1'-N19 112.728 6.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C4'-C3' 108.118 2.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.087 0 O4'-C1'-N19 110.283 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.749 6.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 P-O3'-C3' 123.26 2.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.539 3.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.76 0 P-O3'-C3' 123.4 3.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.889 0 O4'-C1'-C2' 102.81 -2.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.42 0 C1'-O4'-C4' 105.929 -2.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.83 0 O4'-C1'-N19 110.312 3.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 1 O4'-C1'-N19 111.6 4.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.0 0 O4'-C1'-C2' 102.668 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 0 P-O3'-C3' 124.098 3.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 0 O4'-C1'-C2' 103.045 -2.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.748 0 O4'-C1'-C2' 103.287 -2.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.834 1 O4'-C1'-N19 111.353 4.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 113.978 7.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.698 1 O4'-C1'-N19 112.505 5.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C4'-C3' 108.231 2.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 O4'-C1'-C2' 103.319 -2.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.968 1 O4'-C1'-N19 111.521 4.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.579 0 O4'-C1'-C2' 102.882 -2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.87 1 O4'-C1'-N19 111.6 4.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 0 O4'-C4'-C3' 108.031 2.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.632 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.1 151.79 30.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.695 0.798 . . . . 0.0 109.776 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.22 153.97 29.89 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.207 1.003 . . . . 0.0 110.427 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -101.36 136.21 41.59 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 102.903 -2.999 . . . . 0.0 102.903 168.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 14' ' ' ILE . 1.9 mp -103.98 145.11 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.997 0.919 . . . . 0.0 108.724 -176.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.56 114.41 6.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.362 1.065 . . . . 0.0 109.169 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -42.67 -38.79 2.16 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.722 2.009 . . . . 0.0 113.234 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.97 66.38 1.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.334 1.054 . . . . 0.0 108.982 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.13 -61.35 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 128.697 2.799 . . . . 0.0 115.071 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.95 -38.78 3.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.657 1.583 . . . . 0.0 112.951 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.8 t -56.7 -34.95 67.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.937 1.295 . . . . 0.0 112.066 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.09 60.32 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.361 0.981 . . . . 0.0 114.187 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.43 147.8 23.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.106 0.953 . . . . 0.0 108.918 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.89 151.03 17.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -151.31 155.76 39.39 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.606 0.639 . . . . 0.0 109.742 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -63.54 -62.91 1.36 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.482 0.658 . . . . 0.0 111.963 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -78.59 124.66 28.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.809 -173.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -46.99 -47.55 21.95 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.431 1.092 . . . . 0.0 111.774 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 17.5 p-90 -50.62 -42.53 56.27 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.259 0.624 . . . . 0.0 111.074 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -69.5 -45.18 69.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.92 -34.53 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.49 -48.76 71.48 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.042 -1.036 . . . . 0.0 108.95 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.97 -37.13 63.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.433 0.693 . . . . 0.0 109.914 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -69.26 -59.28 3.12 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 121.648 -0.657 . . . . 0.0 109.536 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 mt -47.4 -34.79 7.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.444 1.098 . . . . 0.0 112.647 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -46.25 -38.2 8.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.255 0.622 . . . . 0.0 111.729 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.58 -42.15 70.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.979 0.912 . . . . 0.0 111.745 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -91.37 -47.12 7.64 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.708 0.803 . . . . 0.0 111.819 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.5 p -85.16 -29.3 24.87 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 11.21 84.23 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -172.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -76.97 129.25 35.89 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.075 1.438 . . . . 0.0 109.515 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -131.84 79.41 67.95 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.62 -32.64 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 124.724 3.616 . . . . 0.0 117.185 -176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -114.77 77.01 4.44 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 118.89 0.768 . . . . 0.0 112.189 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.48 160.56 22.47 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.064 2.509 . . . . 0.0 108.337 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.2 t -82.15 -9.42 59.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.32 1.448 . . . . 0.0 113.209 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm 72.32 -48.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.722 1.609 . . . . 0.0 114.571 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -43.07 140.36 1.48 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.885 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -55.9 127.85 32.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.56 -61.54 3.58 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.1 t -78.3 55.97 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.124 0.97 . . . . 0.0 109.76 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -81.63 -29.25 33.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.968 0.907 . . . . 0.0 110.108 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 42.1 -143.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.923 2.089 . . . . 0.0 112.833 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.6 94.31 0.1 OUTLIER Glycine 0 CA--C 1.521 0.417 0 N-CA-C 106.864 -2.494 . . . . 0.0 106.864 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.59 -1.22 30.75 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p 62.66 -25.7 0.06 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.02 2.23 . . . . 0.0 117.02 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -138.1 158.58 44.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.614 1.552 . . . . 0.0 109.245 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.7 -43.23 89.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -64.22 -42.81 96.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.103 -0.373 . . . . 0.0 110.817 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -56.66 -47.87 78.84 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.988 0.899 . . . . 0.0 108.641 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.01 -37.2 81.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.896 -0.503 . . . . 0.0 111.222 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.3 m -62.07 -50.33 72.41 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.3 -0.875 . . . . 0.0 109.408 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -61.23 -41.36 96.74 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.264 -0.974 . . . . 0.0 110.05 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -53.43 -46.36 69.79 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.796 0.725 . . . . 0.0 110.182 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -54.17 -24.11 16.9 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.4 mt -54.88 -32.33 60.76 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.131 0.878 . . . . 0.0 110.402 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -64.94 -31.73 73.1 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 117.822 0.283 . . . . 0.0 111.05 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -80.72 -48.82 12.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.842 0.857 . . . . 0.0 109.669 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -71.37 -23.81 61.97 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.41 68.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -79.86 55.35 2.06 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.875 0.845 . . . . 0.0 112.178 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -78.61 90.91 4.56 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.317 2.247 . . . . 0.0 106.507 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -131.79 -0.96 3.82 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -76.07 82.86 2.92 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 121.065 1.757 . . . . 0.0 109.42 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -76.72 108.98 10.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.527 1.931 . . . . 0.0 110.462 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.7 t -61.94 142.44 57.43 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -93.06 -96.92 0.14 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t 52.33 -147.03 0.47 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.995 0.918 . . . . 0.0 110.008 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.72 61.36 1.38 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.329 1.052 . . . . 0.0 109.918 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.27 35.55 85.1 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.805 0.716 . . . . 0.0 111.651 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -83.59 62.5 6.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.82 58.67 0.33 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.183 0.993 . . . . 0.0 113.326 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.96 117.35 26.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -87.74 100.27 12.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.366 1.466 . . . . 0.0 108.886 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -87.19 157.05 19.43 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.388 0.613 . . . . 0.0 111.055 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.8 p -71.7 -38.98 70.48 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.513 1.125 . . . . 0.0 111.517 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.6 p -132.96 155.51 48.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.181 0.515 . . . . 0.0 110.383 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -59.51 -39.85 85.18 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.47 99.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.857 -0.527 . . . . 0.0 110.952 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.96 -46.29 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.849 0.749 . . . . 0.0 109.349 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.5 ttp -54.97 -46.78 75.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.952 0.501 . . . . 0.0 110.423 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -62.68 -48.76 77.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.61 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -55.74 -47.84 76.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.636 1.107 . . . . 0.0 109.262 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -53.23 -53.32 52.41 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -55.41 -47.99 75.08 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.099 -0.375 . . . . 0.0 110.96 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -54.82 -45.25 74.4 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.765 1.626 . . . . 0.0 110.162 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -73.09 -38.37 66.42 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.879 0.872 . . . . 0.0 112.243 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -97.73 -74.49 0.57 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -75.65 -29.42 59.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.385 0.674 . . . . 0.0 112.575 -169.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.54 -31.3 65.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 mt -79.01 -52.85 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.527 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.742 0 O4'-C1'-N19 110.19 2.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.34 0 C1'-O4'-C4' 106.371 -2.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.429 1 O4'-C1'-N19 111.889 5.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.074 2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.356 1 O4'-C1'-N19 112.392 5.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C1'-N19 110.364 3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 110.319 3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.14 2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.707 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.412 1 O4'-C1'-N19 111.598 4.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 P-O3'-C3' 122.682 2.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.926 1 O4'-C1'-N19 112.08 5.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.316 0 P-O3'-C3' 122.676 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 1 O4'-C1'-N19 111.554 4.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.774 1 O4'-C1'-N19 111.457 4.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.302 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 O4'-C1'-N19 109.785 2.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.777 0 O4'-C1'-C2' 102.668 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 1 O4'-C1'-N19 112.674 6.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.782 0 P-O3'-C3' 123.106 2.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 1 O4'-C1'-N19 111.897 5.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.626 1 O4'-C1'-N19 113.71 7.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C4'-C3' 108.137 2.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.078 0 O4'-C1'-C2' 103.086 -2.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.988 1 O4'-C1'-N19 111.204 4.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.469 0 P-O3'-C3' 122.63 2.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.081 1 O4'-C1'-N19 111.542 4.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 O4'-C4'-C3' 108.073 2.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.18 0 P-O3'-C3' 122.655 2.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -78.46 54.78 1.49 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.651 0.78 . . . . 0.0 110.189 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 50.97 -131.91 1.98 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -153.45 131.72 11.97 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 101.0 -3.704 . . . . 0.0 101.0 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.05 142.62 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.448 0.699 . . . . 0.0 110.503 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.39 118.73 8.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.678 1.191 . . . . 0.0 110.102 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -46.92 -37.79 9.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.172 1.789 . . . . 0.0 113.103 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.18 64.84 1.47 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.499 1.12 . . . . 0.0 109.559 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -12.3 -67.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.316 3.047 . . . . 0.0 115.479 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.52 -37.95 2.68 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.842 1.657 . . . . 0.0 113.138 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -34.87 67.25 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.972 1.309 . . . . 0.0 111.948 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.03 30.6 54.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.868 1.223 . . . . 0.0 114.531 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.81 145.19 24.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.021 0.911 . . . . 0.0 108.714 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.15 147.07 24.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -149.1 147.21 28.22 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 118.273 0.488 . . . . 0.0 110.559 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -66.89 -46.39 75.06 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 125.573 1.549 . . . . 0.0 111.474 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -77.86 108.78 11.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -47.54 -44.7 26.15 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.862 1.265 . . . . 0.0 111.859 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -60.28 -34.68 74.09 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.179 0.992 . . . . 0.0 111.589 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -71.39 -41.49 69.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.4 -40.97 98.66 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 173.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.846 -1.159 . . . . 0.0 110.284 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 -44.71 75.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -57.79 -53.64 55.88 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.557 -0.714 . . . . 0.0 110.109 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.5 -40.9 39.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 121.534 -0.729 . . . . 0.0 111.969 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 p -51.66 -31.6 26.26 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.622 0.646 . . . . 0.0 111.868 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -54.27 -43.34 70.93 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.584 0.629 . . . . 0.0 111.155 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -91.04 -51.36 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.993 0.917 . . . . 0.0 111.61 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 p -76.98 -31.2 56.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.023 1.329 . . . . 0.0 113.864 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.0 8.86 74.9 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -171.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.97 149.37 32.29 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 118.736 1.268 . . . . 0.0 111.024 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -134.09 77.92 60.41 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.542 1.137 . . . . 0.0 108.343 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.5 -26.18 5.98 Favored 'Trans proline' 0 C--N 1.346 0.403 1 C-N-CA 125.963 4.442 . . . . 0.0 119.171 -174.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -108.68 85.9 3.3 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 119.318 0.963 . . . . 0.0 111.236 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -74.01 145.66 35.91 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.005 1.804 . . . . 0.0 110.404 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.18 -24.23 43.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.92 0.888 . . . . 0.0 111.381 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt 65.43 -33.61 0.17 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -44.78 136.42 4.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.559 1.072 . . . . 0.0 112.093 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.27 126.03 13.89 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.053 0.941 . . . . 0.0 109.789 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.82 -58.6 3.86 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.4 t -77.26 45.05 0.44 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.346 1.458 . . . . 0.0 110.517 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -84.6 63.24 7.8 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.879 -1.138 . . . . 0.0 108.142 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.25 164.97 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.363 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.9 111.11 1.66 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -107.68 148.07 29.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.81 0.805 . . . . 0.0 110.402 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -88.1 -13.92 40.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.607 1.163 . . . . 0.0 112.649 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 p -149.15 152.57 36.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.989 0.813 . . . . 0.0 110.593 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.8 tp -58.43 -37.38 75.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -46.34 88.91 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.017 -0.427 . . . . 0.0 110.35 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -57.41 -47.57 81.37 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.14 -39.41 78.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.921 0.391 . . . . 0.0 110.647 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.3 m -60.06 -52.0 67.24 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.554 -0.716 . . . . 0.0 109.307 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 ptt-85 -64.19 -37.54 87.82 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.337 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -55.23 -43.28 74.4 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.376 -0.827 . . . . 0.0 109.427 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -56.8 -18.11 11.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.0 -35.86 71.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.662 1.119 . . . . 0.0 109.051 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 p -65.9 -33.57 76.14 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.339 0.256 . . . . 0.0 111.245 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -78.07 -49.71 13.44 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.903 0.881 . . . . 0.0 109.533 -177.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -69.52 -27.22 64.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.92 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.89 20.99 62.18 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.563 1.078 . . . . 0.0 110.513 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.25 47.67 0.93 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.285 1.04 . . . . 0.0 112.5 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -81.74 66.53 7.35 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -106.62 2.23 25.82 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -170.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -75.49 85.66 2.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 119.101 0.864 . . . . 0.0 109.377 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -78.76 120.84 23.99 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 127.003 2.121 . . . . 0.0 110.137 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.69 114.35 3.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -75.02 74.02 2.21 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 t -145.07 116.3 7.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.61 128.4 15.04 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.095 0.958 . . . . 0.0 111.006 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.02 -53.44 4.37 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.57 51.12 0.87 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.575 1.15 . . . . 0.0 110.067 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.66 53.22 2.3 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.003 -1.061 . . . . 0.0 109.511 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.84 128.36 36.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.5 0.72 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -94.42 129.68 41.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.299 1.04 . . . . 0.0 109.379 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -115.65 164.27 14.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.636 0.774 . . . . 0.0 111.585 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 p -69.12 -58.99 3.34 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.943 1.697 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.0 p -115.85 145.57 42.75 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.993 0.917 . . . . 0.0 110.057 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -44.93 -52.79 8.34 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.095 0.958 . . . . 0.0 110.819 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.83 -28.84 64.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.81 -44.21 77.81 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -61.66 -41.08 97.05 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.572 0.749 . . . . 0.0 109.669 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.63 -55.99 27.57 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.84 0.746 . . . . 0.0 109.143 176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -50.75 -52.31 41.88 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.457 0.703 . . . . 0.0 109.635 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -55.07 -55.04 35.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.678 0.217 . . . . 0.0 111.242 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -54.12 -44.97 71.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.575 0.703 . . . . 0.0 110.192 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.99 -63.71 1.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -48.78 -45.74 40.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.819 2.448 . . . . 0.0 113.504 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.24 -23.97 15.91 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.157 1.539 . . . . 0.0 115.157 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.19 -48.41 1.2 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.979 1.263 . . . . 0.0 113.781 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -42.03 61.95 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 119.031 0.832 . . . . 0.0 112.04 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.93 -32.72 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 118.703 0.683 . . . . 0.0 109.181 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.194 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.545 0 O4'-C1'-N19 110.454 3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.206 0 P-O3'-C3' 122.808 2.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.276 3.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 P-O3'-C3' 123.11 2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.477 1 O4'-C1'-N19 112.046 5.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.311 4.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 0 N19-C1'-C2' 108.047 -3.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.502 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 1 O4'-C1'-N19 111.911 5.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 P-O3'-C3' 123.256 2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 1 O4'-C1'-N19 112.11 5.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 0 P-O3'-C3' 122.829 2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 O4'-C1'-N19 110.745 3.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.333 0 P-O3'-C3' 122.846 2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-N19 110.427 3.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 1 O4'-C1'-N19 111.295 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 0 C3'-C2'-C1' 99.418 -2.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 P-O3'-C3' 122.507 2.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C1'-C2' 102.206 -3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.809 1 O4'-C1'-N19 113.37 6.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 109.788 2.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.967 1 O4'-C1'-N19 112.892 6.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 1 O4'-C1'-N19 112.956 6.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C4'-C3' 108.133 2.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 0 O4'-C1'-C2' 102.802 -2.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.922 0 O4'-C1'-N19 110.275 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.752 0 O4'-C1'-C2' 102.689 -3.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.906 1 O4'-C1'-N19 111.419 4.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C4'-C3' 108.154 2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.663 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -78.72 140.44 38.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -132.56 142.42 49.15 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -79.83 129.88 34.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 mt -105.75 132.46 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 111.071 -176.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.0 t -57.38 130.94 48.51 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 110.735 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 p -69.72 -68.67 0.4 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.824 1.65 . . . . 0.0 112.674 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -19.23 102.6 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 128.168 2.587 . . . . 0.0 114.802 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.33 36.64 2.39 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.036 1.334 . . . . 0.0 113.279 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 58.93 38.9 24.26 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.578 1.151 . . . . 0.0 111.572 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -42.56 -40.28 2.61 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.292 1.437 . . . . 0.0 112.055 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.45 10.71 86.08 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 113.901 0.32 . . . . 0.0 113.901 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.6 103.79 6.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.6 136.77 44.57 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.11 0.964 . . . . 0.0 111.552 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.06 152.58 46.3 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.329 0.652 . . . . 0.0 110.988 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -78.56 -46.91 18.34 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.273 1.029 . . . . 0.0 111.575 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -88.35 136.91 32.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 121.937 -0.477 . . . . 0.0 110.328 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.86 -46.54 84.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.583 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.1 p-90 -55.17 -38.8 68.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.658 0.783 . . . . 0.0 111.384 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -64.76 -47.64 77.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.78 -40.36 92.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.117 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -58.21 -47.25 84.05 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 119.59 1.086 . . . . 0.0 109.927 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.66 77.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -60.01 -55.74 30.3 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.811 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.09 -33.01 50.26 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.864 0.866 . . . . 0.0 111.68 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 p -55.44 -30.03 59.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.058 0.845 . . . . 0.0 111.25 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -36.71 78.14 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.87 0.468 . . . . 0.0 110.882 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -90.63 -50.33 5.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.365 0.666 . . . . 0.0 111.076 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -79.39 -33.83 42.4 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.51 88.08 Favored Glycine 0 CA--C 1.537 1.437 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -171.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.86 139.7 37.05 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.957 1.378 . . . . 0.0 110.658 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -129.7 82.68 66.47 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 124.483 1.113 . . . . 0.0 108.079 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.22 -22.45 11.29 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.699 4.266 . . . . 0.0 118.484 -174.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.53 79.26 0.98 Allowed Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 119.247 0.931 . . . . 0.0 110.362 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.95 155.68 52.85 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.562 1.508 . . . . 0.0 108.954 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -81.85 147.98 29.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.24 142.69 34.38 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.725 0.693 . . . . 0.0 110.364 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.03 134.76 56.64 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -59.17 3.88 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.93 61.76 2.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.557 1.143 . . . . 0.0 108.836 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -83.08 -27.46 30.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.009 1.324 . . . . 0.0 109.908 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 43.82 -134.01 0.59 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.887 1.675 . . . . 0.0 111.701 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.46 99.69 0.14 Allowed Glycine 0 CA--C 1.521 0.437 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -111.76 155.57 23.3 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.728 0.764 . . . . 0.0 109.589 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -103.42 -2.89 26.22 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.841 0.856 . . . . 0.0 113.303 -176.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -155.49 155.35 33.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.104 0.865 . . . . 0.0 111.158 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.0 -42.07 93.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.064 176.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -57.98 -50.4 73.53 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -43.84 97.27 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.68 -45.02 93.34 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.968 0.507 . . . . 0.0 109.89 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 50.7 m -60.13 -48.8 80.2 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -57.33 -47.6 81.12 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -55.79 -45.69 78.14 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.143 -0.973 . . . . 0.0 110.03 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -57.67 -17.51 15.32 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.36 -35.35 67.56 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.348 0.976 . . . . 0.0 109.233 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.0 p -64.55 -35.55 81.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.851 0.46 . . . . 0.0 111.376 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.39 -50.09 12.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.923 0.889 . . . . 0.0 109.63 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -65.6 -25.79 67.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.379 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.91 33.19 57.91 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -79.38 47.95 0.86 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.906 0.86 . . . . 0.0 111.804 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -82.46 67.86 8.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.17 7.26 6.52 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -77.14 84.22 3.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 m -77.24 116.12 17.59 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.423 1.889 . . . . 0.0 110.335 -174.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.77 116.3 3.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 174.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.59 71.12 1.86 Allowed 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.892 0.477 . . . . 0.0 110.467 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -149.01 116.67 6.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.77 138.67 18.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 110.26 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.27 -59.82 4.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.41 47.77 0.72 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.892 0.877 . . . . 0.0 110.177 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -82.63 54.37 2.63 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -73.0 124.84 26.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.782 0.833 . . . . 0.0 109.447 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -93.82 110.09 21.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.546 1.138 . . . . 0.0 109.988 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.22 161.17 14.37 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.105 0.562 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 p -69.87 -55.37 9.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 125.308 1.443 . . . . 0.0 111.207 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 p -112.04 154.93 24.63 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.353 0.661 . . . . 0.0 109.61 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -56.27 -44.23 79.55 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.04 83.95 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.894 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.33 -44.4 95.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.678 1.126 . . . . 0.0 109.212 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.03 -46.84 84.65 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.015 0.526 . . . . 0.0 109.945 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.15 -50.11 75.31 Favored 'General case' 0 CA--C 1.528 0.114 0 O-C-N 121.625 -0.672 . . . . 0.0 110.161 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -55.8 -45.19 78.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.944 0.793 . . . . 0.0 109.569 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -56.54 -52.09 66.08 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -55.55 -46.43 77.11 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.968 -0.457 . . . . 0.0 110.907 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.05 -46.4 78.93 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.671 1.588 . . . . 0.0 110.267 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.34 -38.98 71.62 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -100.31 -70.57 0.73 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -75.06 -33.19 61.68 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -170.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.57 -29.73 63.8 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.65 -51.1 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 174.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.143 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.481 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.275 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 112.212 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 1 O4'-C1'-N19 111.913 5.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.449 3.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 P-O3'-C3' 122.637 2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.937 0 P-O3'-C3' 122.89 2.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.598 1 O4'-C1'-N19 112.599 5.999 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 0 P-O3'-C3' 122.857 2.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 1 O4'-C1'-N19 111.863 5.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.425 0 O4'-C1'-N19 110.02 2.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C1'-N19 110.827 3.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.893 1 O4'-C1'-N19 111.356 4.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.782 1 O4'-C1'-N19 111.65 4.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 0 P-O3'-C3' 123.14 2.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 101.829 -3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.826 1 O4'-C1'-N19 113.186 6.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.723 4.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.661 1 O4'-C1'-N19 113.786 7.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C4'-C3' 108.398 2.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.611 0 P-O3'-C3' 122.825 2.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 1 O4'-C1'-N19 112.428 5.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 O4'-C1'-C2' 102.742 -3.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 1 O4'-C1'-N19 111.646 4.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 0 O4'-C4'-C3' 108.201 2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.556 0 O4'-C1'-N19 110.215 3.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -67.24 150.48 49.02 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -176.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.87 141.78 47.46 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.084 1.354 . . . . 0.0 109.529 177.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -81.85 136.72 35.34 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 169.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 mt -109.79 142.69 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.571 0.748 . . . . 0.0 109.927 -176.133 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.18 118.11 8.12 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.379 1.072 . . . . 0.0 109.797 178.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -43.19 -40.51 3.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.724 2.009 . . . . 0.0 112.769 -179.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -75.29 65.37 1.61 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.708 1.203 . . . . 0.0 109.01 178.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -19.26 -60.52 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 128.964 2.906 . . . . 0.0 115.13 -176.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -43.63 -38.17 2.91 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.773 1.629 . . . . 0.0 112.914 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -55.7 -35.47 66.11 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.51 23.44 62.68 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.016 0.817 . . . . 0.0 113.904 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.25 140.92 29.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.151 0.976 . . . . 0.0 109.008 178.269 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.5 144.65 20.83 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -151.61 145.45 25.11 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.395 0.543 . . . . 0.0 109.795 179.06 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.05 -56.28 8.21 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 122.693 1.235 . . . . 0.0 112.224 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.12 79.43 1.75 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.206 -174.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -11.91 -60.35 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 129.929 3.292 . . . . 0.0 115.283 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 33.5 p-90 -44.14 -39.39 4.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.923 1.289 . . . . 0.0 112.563 -179.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.08 -40.06 94.09 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.75 1.22 . . . . 0.0 110.198 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.13 -41.68 63.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.876 0.87 . . . . 0.0 108.837 177.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -54.66 -50.21 68.75 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.51 64.91 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.877 -0.582 . . . . 0.0 109.63 177.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -46.25 -49.87 16.71 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.834 0.743 . . . . 0.0 111.257 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -53.15 -26.37 16.75 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -54.79 -33.31 61.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.301 0.955 . . . . 0.0 110.909 177.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -52.69 -45.59 66.91 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.662 0.785 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.34 -46.84 7.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.704 0.802 . . . . 0.0 112.041 -175.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.4 p -83.56 -27.88 28.97 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -173.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.9 10.2 83.7 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -172.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.94 158.88 29.17 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.658 1.229 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -133.02 76.45 70.09 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -44.81 -27.55 2.48 Favored 'Trans proline' 0 CA--C 1.532 0.414 1 C-N-CA 126.449 4.766 . . . . 0.0 118.922 -174.303 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.76 86.71 5.99 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.541 1.064 . . . . 0.0 111.432 -175.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -70.71 146.06 53.33 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.494 2.129 . . . . 0.0 110.82 178.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.37 -18.39 42.22 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.049 0.94 . . . . 0.0 112.102 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt 67.82 -44.84 0.49 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.703 2.001 . . . . 0.0 115.755 176.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -40.49 134.41 1.74 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.813 1.245 . . . . 0.0 113.222 -176.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -56.26 133.44 52.57 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.31 -62.38 3.42 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.06 46.25 0.58 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.841 1.256 . . . . 0.0 110.156 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -84.29 59.76 5.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -67.25 167.43 12.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.67 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.71 113.71 1.74 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 106.124 -2.79 . . . . 0.0 106.124 175.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.04 144.86 30.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.686 0.794 . . . . 0.0 109.729 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -81.9 -20.78 38.08 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.689 0.795 . . . . 0.0 112.448 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 p -141.65 155.48 45.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.917 0.78 . . . . 0.0 110.864 178.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.47 -41.99 91.03 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.592 175.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.56 89.47 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 122.005 -0.434 . . . . 0.0 110.746 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -58.99 -48.27 82.19 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.19 -42.93 87.2 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.215 0.531 . . . . 0.0 110.187 177.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.0 m -57.07 -53.33 59.28 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -65.32 -36.82 85.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.386 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.8 -42.07 71.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.045 0.839 . . . . 0.0 109.559 176.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m -54.94 -19.91 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.6 -35.87 73.11 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.024 -1.047 . . . . 0.0 109.622 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.1 p -65.2 -32.56 74.3 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.813 0.279 . . . . 0.0 110.937 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -79.58 -52.24 8.26 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 124.004 0.922 . . . . 0.0 110.023 -178.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -66.65 -30.43 70.69 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.42 20.77 63.58 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.36 0.981 . . . . 0.0 111.431 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -78.78 52.74 1.26 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.23 1.015 . . . . 0.0 111.717 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -79.61 63.69 4.27 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.044 2.137 . . . . 0.0 105.947 177.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -98.6 -9.36 24.91 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -74.13 93.85 2.35 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -175.225 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -90.46 127.42 36.21 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.41 1.884 . . . . 0.0 110.898 -175.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.09 114.27 3.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.343 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.15 74.07 1.76 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 t -148.32 113.22 5.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.3 132.63 24.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.695 0.798 . . . . 0.0 110.796 -177.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.66 -57.03 4.93 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 -177.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.87 44.94 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.543 1.137 . . . . 0.0 110.1 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.43 53.11 2.4 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 120.936 -1.103 . . . . 0.0 109.578 -179.437 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 138.85 52.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -100.52 143.75 30.33 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.88 0.872 . . . . 0.0 108.896 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -131.77 158.84 40.17 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.147 0.579 . . . . 0.0 111.296 -178.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -57.39 9.15 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.687 1.595 . . . . 0.0 112.694 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.0 p -118.65 157.53 27.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.198 0.908 . . . . 0.0 109.108 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -52.3 -43.05 64.27 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.49 -27.31 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.578 -0.701 . . . . 0.0 112.614 -178.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -64.53 -48.3 75.6 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 ttp -56.48 -48.32 77.36 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.581 0.752 . . . . 0.0 109.291 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -57.91 -52.13 66.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.984 0.514 . . . . 0.0 110.065 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -51.84 -54.64 26.65 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 118.844 0.747 . . . . 0.0 109.656 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -54.8 -54.39 42.85 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.889 0.313 . . . . 0.0 110.583 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -53.96 -45.18 71.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.504 0.668 . . . . 0.0 109.673 -177.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -60.02 -62.43 1.87 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.39 0.614 . . . . 0.0 109.467 178.021 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.64 -45.07 18.93 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.1 2.16 . . . . 0.0 112.426 -179.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -96.15 -25.97 15.65 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -123.6 -24.12 4.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.832 1.196 . . . . 0.0 113.859 -172.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -90.5 -65.02 1.05 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.8 pt -92.63 -8.3 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.321 0.648 . . . . 0.0 112.693 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.4 mptt . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 123.861 0.864 . . . . 0.0 110.165 -179.208 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' E' E ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 O4'-C1'-N19 110.212 3.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' E' E ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 P-O3'-C3' 122.843 2.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' E' E ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.315 4.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 0 P-O3'-C3' 123.452 3.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' E' E ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.67 1 O4'-C1'-N19 112.15 5.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' E' E ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.195 2.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' E' E ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.064 0 O4'-C1'-N19 110.613 3.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' E' E ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 109.868 2.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' E' E ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 2 O4'-C1'-C2' 101.238 -4.42 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' E' E ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-C2' 102.854 -2.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' E' E ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.384 1 O4'-C1'-N19 111.071 4.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' E' E ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 109.738 2.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' E' E ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 1 O4'-C1'-N19 111.923 5.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' E' E ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.461 0 P-O3'-C3' 122.728 2.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' E' E ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' F' F ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' F' F ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.036 0 O4'-C1'-C2' 102.784 -3.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' F' F ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.667 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' F' F ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 0 O4'-C4'-C3' 108.224 2.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' F' F ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.819 1 O4'-C1'-N19 112.033 5.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' F' F ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.693 0 P-O3'-C3' 123.043 2.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' F' F ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.898 1 O4'-C1'-N19 111.665 4.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' F' F ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.655 1 O4'-C1'-N19 114.31 8.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' F' F ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C4'-C3' 108.239 2.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' F' F ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.554 0 P-O3'-C3' 122.985 2.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' F' F ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.876 1 O4'-C1'-N19 111.831 5.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' F' F ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.552 0 P-O3'-C3' 122.72 2.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' F' F ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.94 1 O4'-C1'-N19 111.84 5.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' F' F ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.801 0 O4'-C4'-C3' 108.019 2.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' F' F ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.776 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -78.6 92.38 4.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 179.203 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -62.16 109.36 1.28 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -73.51 130.65 40.53 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 178.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mt -94.17 145.58 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.245 1.418 . . . . 0.0 111.485 -174.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -56.16 128.52 35.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.441 1.897 . . . . 0.0 110.312 176.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -42.91 -44.28 4.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.536 1.934 . . . . 0.0 112.248 -179.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -76.57 64.46 2.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.299 1.04 . . . . 0.0 108.9 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -17.07 -61.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 128.987 2.915 . . . . 0.0 115.295 -176.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -42.44 -38.11 1.8 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.0 1.72 . . . . 0.0 113.006 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -52.34 -37.03 55.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.26 1.424 . . . . 0.0 112.197 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.0 13.15 56.93 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 123.808 0.718 . . . . 0.0 114.62 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.43 136.71 36.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.79 140.21 24.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.735 -1.126 . . . . 0.0 108.686 -178.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -144.01 -16.99 0.59 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 -173.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.32 -49.47 0.67 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.829 1.649 . . . . 0.0 113.462 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -75.03 110.4 9.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.79 -52.96 10.35 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.357 0.663 . . . . 0.0 111.848 -177.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -53.31 -42.08 66.3 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.354 0.525 . . . . 0.0 111.4 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -46.77 70.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.047 0.939 . . . . 0.0 109.569 -176.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -46.43 80.8 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 109.847 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.59 -45.68 84.97 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.736 0.814 . . . . 0.0 109.377 176.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -53.52 56.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -48.84 -53.08 20.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.711 0.687 . . . . 0.0 110.271 175.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -55.06 -21.25 11.85 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.205 -0.902 . . . . 0.0 113.138 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -55.04 -35.67 64.72 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.184 1.357 . . . . 0.0 110.949 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -62.22 -37.11 84.13 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.471 0.578 . . . . 0.0 112.24 178.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -84.96 -46.66 11.02 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.846 0.355 . . . . 0.0 111.455 -178.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.0 p -87.82 -28.9 21.35 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -172.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 8.42 87.84 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -172.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -78.1 148.67 34.1 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.777 1.289 . . . . 0.0 111.32 -178.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -134.37 76.77 61.56 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -48.22 -25.75 7.31 Favored 'Trans proline' 0 N--CA 1.459 -0.502 1 C-N-CA 125.328 4.019 . . . . 0.0 118.762 -173.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -114.46 81.18 6.59 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 119.47 1.032 . . . . 0.0 111.722 -174.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.07 148.59 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.147 1.898 . . . . 0.0 110.941 178.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 -25.51 37.92 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.205 0.602 . . . . 0.0 110.692 178.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 68.08 -39.71 0.4 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.61 1.964 . . . . 0.0 115.532 176.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -42.06 136.64 2.09 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.972 1.309 . . . . 0.0 112.632 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -52.42 132.66 34.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.062 0.945 . . . . 0.0 109.281 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.2 -62.93 3.33 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -78.41 49.09 0.82 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.905 0.882 . . . . 0.0 110.897 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -82.65 60.7 5.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -69.01 163.91 23.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.589 0.756 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 104.32 0.72 Allowed Glycine 0 C--N 1.335 0.513 0 N-CA-C 107.354 -2.299 . . . . 0.0 107.354 175.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.94 149.23 23.17 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 118.524 1.162 . . . . 0.0 109.628 178.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -89.22 -7.71 54.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.091 0.956 . . . . 0.0 112.867 -178.17 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.2 p -152.19 150.84 30.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.268 0.94 . . . . 0.0 110.846 176.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.83 -39.13 76.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -47.29 84.62 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.162 -0.336 . . . . 0.0 110.233 179.654 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -58.05 -46.61 85.1 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.75 -42.2 75.07 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.823 0.344 . . . . 0.0 110.16 177.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 m -58.4 -53.19 61.07 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.98 0.512 . . . . 0.0 109.897 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.587 -1.245 . . . . 0.0 110.923 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.32 -42.28 73.55 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.499 -0.751 . . . . 0.0 109.971 176.346 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 m -55.34 -19.5 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.17 -35.22 69.29 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.923 0.783 . . . . 0.0 109.44 174.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -67.07 -35.19 79.29 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.896 0.478 . . . . 0.0 111.693 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -76.77 -47.59 21.23 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 p -66.93 -26.28 66.77 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.761 178.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.05 25.81 56.9 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 -177.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.03 49.2 1.2 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.867 0.867 . . . . 0.0 111.552 -178.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -81.46 69.69 8.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -118.69 6.17 11.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -169.759 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -77.03 82.03 3.55 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 119.661 1.118 . . . . 0.0 108.557 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -77.66 117.01 18.66 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 126.278 1.831 . . . . 0.0 110.652 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.39 114.09 2.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.74 70.73 1.9 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.946 0.498 . . . . 0.0 110.375 -177.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 t -146.62 117.33 7.59 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.298 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.84 138.49 18.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.257 0.623 . . . . 0.0 110.201 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.07 -59.95 4.49 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -177.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.43 49.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.578 0.751 . . . . 0.0 110.263 177.672 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.57 53.6 2.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.101 -0.999 . . . . 0.0 109.051 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.0 mt -71.16 125.71 27.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.624 0.77 . . . . 0.0 109.321 -178.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -92.83 114.41 26.96 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.806 1.243 . . . . 0.0 109.487 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -100.81 162.45 12.9 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.613 0.765 . . . . 0.0 110.887 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 p -76.0 -30.51 58.55 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.236 1.415 . . . . 0.0 112.668 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 p -141.26 156.37 45.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.135 0.879 . . . . 0.0 109.578 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.16 -43.35 87.39 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.87 88.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.654 -0.653 . . . . 0.0 111.414 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.7 -46.16 89.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.199 0.909 . . . . 0.0 109.699 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 ttp -56.12 -46.08 79.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.909 0.484 . . . . 0.0 110.379 176.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.54 -46.39 86.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.316 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -55.87 -48.51 75.42 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 119.767 1.167 . . . . 0.0 108.991 176.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -53.92 -53.05 58.04 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.45 -49.04 68.24 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.07 -0.394 . . . . 0.0 110.904 -179.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -55.94 -45.06 78.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.775 1.63 . . . . 0.0 110.532 177.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.9 -27.62 61.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.559 1.143 . . . . 0.0 112.824 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -114.14 -68.61 0.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -173.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -76.72 -27.9 55.63 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.656 -0.652 . . . . 0.0 112.531 -170.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -34.98 68.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.249 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 pt -79.64 -45.5 23.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 176.676 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_