data_1y5o_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 1y5o _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 ' 4' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.073 0.464 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.51 156.69 27.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.827 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -70.02 138.88 52.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 111.269 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.34 146.72 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.927 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 9' ' ' PHE . 31.0 mt -96.56 143.29 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.119 0.485 . . . . 0.0 111.343 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.526 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -144.43 106.32 4.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.939 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 78.08 49.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt 62.38 12.88 5.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 84.0 t -123.93 137.87 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 t -102.09 144.29 30.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.454 0.645 . . . . 0.0 111.851 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.66 -179.97 39.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.311 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.33 128.4 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.157 0.503 . . . . 0.0 111.113 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.402 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.2 OUTLIER -101.55 121.8 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.852 -179.2 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.55 143.59 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -100.77 114.91 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.7 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -99.99 109.61 21.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 1.1 pp20? -112.59 -6.51 13.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.948 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.73 -19.67 59.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.3 -162.07 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.455 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 16.8 p -165.82 113.41 0.78 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.44 151.73 97.4 Favored 'Cis proline' 0 C--N 1.347 0.472 0 C-N-CA 123.503 -1.457 . . . . 0.0 112.461 0.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.32 172.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.701 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -155.7 149.37 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.5 tp -100.47 117.42 34.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.482 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 145.49 24.43 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.981 0.419 . . . . 0.0 111.549 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.27 111.49 10.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 50.3 mtp180 -105.62 128.25 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.43 161.78 8.91 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -32.72 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.372 0.606 . . . . 0.0 109.962 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -73.35 -32.81 64.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.992 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 25.44 48.12 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.046 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -109.95 -19.97 12.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.252 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.59 126.27 43.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -123.83 122.69 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.211 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' TRP . 5.8 t60 -108.91 142.14 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.5 m -122.46 134.71 54.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.761 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.78 146.1 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.384 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 t -92.44 122.42 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.8 mt -85.7 -11.84 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.511 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 7.6 t -80.03 -25.44 40.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.0 110.748 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 t -93.57 15.98 14.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.8 mm -98.84 95.42 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -59.52 -31.33 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.696 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -163.43 171.0 16.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -127.32 115.3 18.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.718 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -103.06 146.63 28.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.95 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.8 p -70.55 148.92 95.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.45 161.74 44.69 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.622 2.215 . . . . 0.0 112.384 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.8 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.516 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m -89.63 0.19 57.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.3 m -106.97 113.29 26.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.653 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.01 -18.79 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -89.01 115.96 26.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.77 115.74 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 70.5 mtp -151.01 133.15 15.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.019 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.43 HD12 ' CE1' ' A' ' 91' ' ' PHE . 0.7 OUTLIER -115.39 119.85 37.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.722 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -105.27 138.11 41.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mp -117.29 127.52 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.1 mm -81.6 119.12 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.593 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.861 0.362 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -110.75 109.48 19.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.2 ttp -97.01 124.0 40.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -111.12 153.82 25.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.83 119.58 35.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.351 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.43 ' CE1' HD12 ' A' ' 60' ' ' LEU . 27.8 m-85 -98.81 135.09 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -97.96 12.17 35.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.266 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.401 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . 3.6 m120 -151.44 122.73 7.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.551 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 59.6 ttm-85 -61.06 -45.46 94.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.645 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -34.78 78.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 121.164 0.507 . . . . 0.0 110.742 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.401 ' CG2' ' CB ' ' A' ' 93' ' ' ASN . 92.3 t -70.61 -38.33 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.551 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 20.4 ptm -72.97 -33.22 65.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.362 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.21 -29.73 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -72.16 -32.63 67.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.65 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.4 mm -86.14 -43.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -53.5 -51.27 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.354 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtt -67.11 -33.51 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.226 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -38.44 66.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 69.0 mt -67.77 -32.81 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.402 ' HA ' HG12 ' A' ' 108' ' ' ILE . 89.3 mt-30 -66.95 -32.97 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -65.1 -41.88 94.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 85.4 mt -57.51 -43.08 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.0 mm -53.01 -52.5 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.822 0.82 . . . . 0.0 110.341 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 m -55.58 -31.18 61.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.17 -1.377 . . . . 0.0 111.175 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -71.58 -32.68 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 24.0 m-85 -71.61 -28.54 63.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.677 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -70.17 -33.91 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.79 -37.67 79.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.29 72.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.865 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.6 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.02 0.438 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.07 147.58 16.79 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.937 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.63 138.52 58.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 111.371 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB1' ' CD1' ' A' ' 16' ' ' ILE . . . -155.43 148.03 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 9' ' ' PHE . 29.7 mt -96.5 143.18 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.143 0.496 . . . . 0.0 111.409 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.512 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.1 t80 -144.66 106.34 4.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.934 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.2 mt-10 78.01 49.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.21 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt 62.55 12.8 5.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.461 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 86.1 t -124.12 138.68 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.0 t -101.53 144.81 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 0.0 111.911 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.05 -179.98 39.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.37 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.63 126.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.209 0.528 . . . . 0.0 111.234 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.451 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.61 119.72 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.586 -179.594 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.59 142.52 46.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.42 108.59 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.65 109.75 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.97 -14.9 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.09 -24.66 10.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.927 0.394 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.94 154.06 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.835 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.65 107.79 7.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.97 150.09 87.61 Favored 'Cis proline' 0 C--N 1.347 0.487 0 C-N-CA 123.561 -1.433 . . . . 0.0 112.36 0.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 172.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -156.17 155.78 33.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.894 0.378 . . . . 0.0 111.346 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -113.35 116.93 30.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.511 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.29 147.32 25.58 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 121.104 0.478 . . . . 0.0 111.948 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.512 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.4 t90 -132.69 110.57 10.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.573 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 81.8 mtm180 -104.74 127.15 52.42 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -61.43 160.13 11.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.77 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -32.39 70.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.492 0.663 . . . . 0.0 110.116 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -72.22 -32.73 67.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.082 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.48 24.64 50.03 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.983 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.32 -19.74 12.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -124.92 126.32 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.731 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.93 120.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.1 t60 -108.83 142.26 39.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.372 0.606 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.441 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.6 m -114.94 130.28 56.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.564 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.03 136.26 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.9 t -92.23 125.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.406 ' CD1' ' CD1' ' A' ' 107' ' ' ILE . 11.4 mt -88.04 -11.7 46.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.794 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.3 t -79.21 -29.33 42.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.842 0.354 . . . . 0.0 110.627 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -81.7 -20.41 39.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.0 mm -66.43 97.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.9 -28.82 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.31 169.2 19.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -142.49 135.09 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -130.79 162.71 28.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' CB ' ' CE ' ' A' ' 101' ' ' LYS . . . -141.51 162.33 35.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 p -70.46 147.55 94.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.04 160.2 48.4 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.507 2.138 . . . . 0.0 112.422 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.66 -11.48 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -89.8 -1.09 57.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.378 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -105.11 113.92 27.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.6 -18.7 32.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.752 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -92.53 125.74 37.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -94.86 121.0 36.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.2 ttm -151.12 127.93 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.18 118.58 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.688 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -102.93 139.96 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -125.01 125.04 43.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.8 mp -98.28 135.76 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.548 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.861 0.362 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.87 115.75 26.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.8 mtm -101.37 113.08 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -103.09 142.68 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.66 125.72 54.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.433 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 32.8 m-85 -104.1 139.77 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.106 0.479 . . . . 0.0 111.873 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -99.68 9.39 43.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.305 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -152.43 125.82 8.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 97' ' ' MET . 4.6 tmm_? -60.7 -42.63 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -42.08 96.56 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.39 -32.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.718 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.446 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -76.97 -31.64 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 97' ' ' MET . 89.3 m-20 -81.7 -26.81 34.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.56 -30.95 61.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.03 -41.47 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' CE ' ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -51.36 -42.4 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.469 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -68.64 -46.16 69.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 111.468 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -43.58 93.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.37 -37.4 87.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.401 ' HA ' HG12 ' A' ' 108' ' ' ILE . 91.4 mt-30 -67.78 -33.32 74.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.78 -39.89 87.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.406 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 80.3 mt -59.14 -42.95 88.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.117 0.484 . . . . 0.0 109.866 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 105' ' ' GLN . 4.8 mm -52.5 -52.55 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.756 0.789 . . . . 0.0 110.216 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.6 m -55.12 -31.26 61.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -72.28 -32.74 66.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.69 -32.53 63.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.582 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -73.59 -34.94 65.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.84 -39.37 88.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.61 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.899 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.955 0.407 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.64 154.16 25.21 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.86 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.86 138.37 57.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.377 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.17 148.34 26.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.736 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 9' ' ' PHE . 29.2 mt -96.53 143.18 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 111.377 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -145.3 106.32 4.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.939 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.89 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.275 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp 62.01 14.06 6.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.44 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 93.7 t -125.3 140.0 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -102.74 146.38 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.596 . . . . 0.0 111.841 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.02 -179.95 40.37 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.405 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.01 127.54 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.3 0.571 . . . . 0.0 111.159 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.454 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.68 119.16 49.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.608 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.39 143.58 44.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.81 114.31 37.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.912 0.387 . . . . 0.0 110.673 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -103.72 109.73 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 96.0 mt-10 -109.56 -6.81 15.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.05 -20.17 56.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.62 -162.05 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.453 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 16.4 p -166.5 113.38 0.72 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.19 152.18 96.86 Favored 'Cis proline' 0 C--N 1.347 0.451 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.39 0.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -54.15 156.45 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.63 150.2 43.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 9.9 tt -107.32 116.78 32.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.484 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.04 147.29 25.76 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.835 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -133.1 110.28 10.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.547 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.5 ttt85 -104.75 126.79 52.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 t -60.26 160.25 8.71 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.808 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 -32.01 70.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.378 0.609 . . . . 0.0 110.022 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -70.69 -33.03 70.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.97 48.16 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.997 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.58 -19.74 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.728 0.299 . . . . 0.0 111.335 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -124.67 126.76 46.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.742 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.58 121.77 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.061 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.6 t60 -108.92 142.24 39.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.451 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.1 m -114.27 131.39 56.52 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.657 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.408 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 32.8 t -110.64 138.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 t -92.64 111.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 107' ' ' ILE . 23.8 mt -71.27 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.617 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -76.94 -29.31 55.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -78.61 -25.06 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.9 mm -70.73 102.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -87.27 -23.64 24.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -148.86 162.59 39.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 pp -134.09 115.61 14.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -113.13 124.62 53.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -115.48 162.34 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -70.35 149.65 95.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.49 152.63 80.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.648 2.232 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -16.3 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.531 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.5 m -89.75 -0.3 57.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.316 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -107.0 113.41 26.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.366 . . . . 0.0 110.731 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.8 -18.83 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -76.54 115.01 15.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -94.01 106.1 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.6 mtt -151.11 138.7 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.9 tp -115.39 127.91 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.778 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.34 133.8 52.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mp -120.38 129.96 54.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.7 mm -101.39 138.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.198 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.824 0.345 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -114.69 111.95 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.7 mtm -91.88 118.01 30.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -112.82 156.96 21.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.66 119.97 28.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.485 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.432 ' CG ' ' HB3' ' A' ' 97' ' ' MET . 27.4 m-85 -98.32 138.54 35.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.059 0.457 . . . . 0.0 111.792 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -100.11 12.77 36.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.387 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.402 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . 19.5 m-80 -152.92 128.23 9.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.354 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.53 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 62.0 ttp180 -63.2 -45.2 92.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -34.75 78.63 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.136 0.493 . . . . 0.0 110.731 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.402 ' CG2' ' CB ' ' A' ' 93' ' ' ASN . 86.4 t -70.58 -38.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.859 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.53 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 23.1 ptm -73.65 -34.16 64.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.404 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -76.0 -29.46 58.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -71.95 -33.5 68.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.698 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.4 mm -86.23 -43.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 23.8 ttpp -53.6 -35.19 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.297 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.0 -49.84 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.04 0.448 . . . . 0.0 111.156 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -38.25 87.12 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.665 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.09 -35.77 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.585 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.401 ' HA ' HG12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -68.84 -33.96 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 110.577 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.3 -39.53 89.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.129 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 76.3 mt -58.45 -44.39 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.788 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 105' ' ' GLN . 4.8 mm -52.0 -52.46 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-O 121.82 0.819 . . . . 0.0 110.297 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.1 m -53.74 -29.59 40.32 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.24 -1.345 . . . . 0.0 111.271 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -71.77 -34.88 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 53.1 m-85 -71.83 -31.25 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.726 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -73.85 -39.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.762 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.12 -37.32 76.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.95 -32.71 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.802 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.937 0.398 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.22 142.85 3.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.073 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.33 138.76 58.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.995 0.426 . . . . 0.0 111.415 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . . . -155.42 146.84 22.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.692 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 9' ' ' PHE . 31.5 mt -96.56 143.1 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.08 0.467 . . . . 0.0 111.203 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.2 t80 -144.39 106.25 4.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.945 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.18 49.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 62.15 12.86 5.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 94.7 t -123.7 137.71 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -101.79 143.97 31.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.846 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.73 -179.92 39.06 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.302 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.85 127.58 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.464 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.69 117.87 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.536 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.42 142.7 41.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mt -107.18 117.02 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -110.35 109.63 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -108.76 -1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.871 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.27 -19.48 65.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.268 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 HG11 ' HA ' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -94.26 -162.05 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.855 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.45 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.48 112.86 0.81 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.17 150.54 95.72 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.759 -1.35 . . . . 0.0 112.402 0.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HA ' HG11 ' A' ' 22' ' ' VAL . . . -54.26 170.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.622 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.75 160.89 39.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.932 0.396 . . . . 0.0 111.489 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 tt -119.88 113.91 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.408 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.12 147.27 25.71 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.824 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.0 t90 -132.12 109.96 10.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.6 mtm105 -104.92 127.56 52.81 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.1 p -60.54 161.44 7.6 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.735 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.19 -32.55 71.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.384 0.611 . . . . 0.0 109.992 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -73.55 -32.69 64.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.5 25.47 46.9 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.056 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -109.43 -20.98 12.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -125.67 126.91 45.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.0 t -124.85 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.7 t60 -108.9 142.29 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.222 0.534 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.425 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.6 m -115.28 132.3 56.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.853 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -114.82 139.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.235 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.0 t -92.45 123.99 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.01 -11.66 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.643 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 78.7 p -79.24 -28.67 42.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -82.47 -20.57 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.6 mm -64.81 94.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -63.36 -29.84 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.69 166.1 29.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -131.36 128.38 39.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -125.28 152.18 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -140.0 164.62 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.064 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.1 p -70.35 146.52 94.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 159.08 54.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.547 2.165 . . . . 0.0 112.441 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.0 -17.46 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.412 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.15 57.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.382 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -107.02 112.61 25.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.0 110.616 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -56.86 -19.29 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.828 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -85.89 91.57 8.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 ptp -78.98 104.56 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.778 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 56.3 mtt -145.44 143.07 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 tp -115.35 124.4 51.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -112.71 136.69 52.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 mp -118.24 128.68 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.78 133.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -105.64 111.76 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -97.78 112.71 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -106.89 150.37 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.9 t -120.89 125.94 48.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.8 m-85 -99.71 137.27 38.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 111.804 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.84 6.52 48.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.369 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -150.49 123.07 8.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -62.66 -30.87 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.92 -46.67 51.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.166 0.508 . . . . 0.0 110.11 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.88 -29.71 45.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.689 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.22 -32.31 61.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.583 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.1 t0 -74.65 -28.99 61.09 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -72.4 -30.39 64.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.3 mm -86.08 -43.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.072 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 24.0 ttpp -58.42 -34.99 71.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.6 mtm -82.1 -43.7 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.953 0.406 . . . . 0.0 111.38 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -65.49 -39.98 92.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.3 mt -66.39 -31.99 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -32.79 74.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.87 -42.13 95.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.304 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.23 -43.36 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.897 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.6 mm -52.62 -52.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 CA-C-O 121.732 0.777 . . . . 0.0 110.125 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -56.24 -31.33 63.44 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.328 -1.306 . . . . 0.0 111.131 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.69 -32.64 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 17.5 m-85 -73.94 -28.63 61.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -32.02 65.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.708 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.08 -37.31 76.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.01 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.924 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.049 0.452 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.39 164.8 36.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.678 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -68.47 137.87 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.089 0.471 . . . . 0.0 111.305 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.32 147.31 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.736 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.476 HG21 ' N ' ' A' ' 9' ' ' PHE . 29.6 mt -96.5 143.08 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 111.432 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.6 t80 -144.46 106.34 4.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.908 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.04 49.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 62.36 12.97 5.64 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 87.1 t -124.13 138.31 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -101.89 144.99 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.374 0.607 . . . . 0.0 111.895 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.01 -179.94 39.82 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.288 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.25 127.69 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.573 . . . . 0.0 111.161 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.459 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.51 116.24 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.297 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.42 142.98 39.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -103.55 113.64 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -103.82 109.73 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.5 -5.36 15.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.906 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.48 -19.88 64.0 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.351 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.56 -161.97 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 110.71 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.455 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.77 113.11 0.69 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.4 ' CB ' ' HB3' ' A' ' 43' ' ' SER . 8.3 Cg_exo -72.3 151.66 96.46 Favored 'Cis proline' 0 C--N 1.347 0.45 0 C-N-CA 123.779 -1.342 . . . . 0.0 112.319 -0.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.454 ' HA ' HG11 ' A' ' 22' ' ' VAL . . . -54.38 169.88 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.662 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -154.54 152.85 30.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 111.359 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tt -111.51 114.25 27.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.596 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.39 147.29 25.51 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.764 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -131.48 109.95 10.65 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.46 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -104.1 127.84 51.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.6 p -62.44 160.2 14.03 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.745 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -31.96 71.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.414 0.626 . . . . 0.0 110.079 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -71.37 -32.35 68.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.1 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.87 24.29 49.67 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.077 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.92 -20.11 11.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.722 0.296 . . . . 0.0 111.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 126.29 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -126.61 119.01 52.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' TRP . 8.2 t60 -109.08 142.34 39.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.229 0.538 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.423 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 8.3 m -114.86 130.75 56.94 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.761 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -114.4 141.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.363 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.0 t -92.62 122.84 44.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.2 mt -88.15 -11.69 46.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.591 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.4 ' HB3' ' CB ' ' A' ' 24' ' ' PRO . 60.6 p -80.24 -28.84 38.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.801 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 t -81.45 -21.77 38.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mm -62.39 94.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.26 -29.7 70.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.022 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -157.79 169.68 24.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.61 128.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -125.63 152.62 44.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.55 164.48 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.56 151.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.79 155.58 69.34 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.41 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -12.76 61.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.522 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 m -89.84 0.42 57.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.285 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -107.14 114.18 28.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.926 0.394 . . . . 0.0 110.627 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.84 -18.98 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.97 115.65 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.811 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -87.82 124.85 34.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 71.4 mtp -151.02 140.3 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 tp -115.35 125.84 53.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.793 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -109.08 129.76 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mp -117.89 130.55 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.48 132.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.2 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.765 0.317 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -105.32 116.43 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -92.8 120.02 32.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 78.5 m-85 -113.86 159.06 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.47 121.04 31.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.7 m-85 -100.97 143.41 31.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 111.712 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.63 9.24 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.496 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -156.86 130.65 8.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 111.36 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -60.72 -40.6 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.673 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.079 0.466 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.9 t -72.41 -33.6 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.613 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.441 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -78.52 -30.6 47.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.541 179.641 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -84.31 -25.64 29.11 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.01 -32.45 63.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.7 mm -84.27 -43.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.761 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.407 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 18.7 ttpp -59.15 -32.81 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.3 tpp -77.89 -48.07 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 t -63.79 -39.91 95.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.316 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.5 -32.72 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.421 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -66.4 -33.47 75.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.43 -41.55 96.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 79.4 mt -57.15 -43.9 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.827 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 7.0 mm -52.29 -52.27 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.758 0.79 . . . . 0.0 110.196 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -53.93 -30.02 44.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.253 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -36.59 69.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -74.54 -30.47 61.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -76.18 -31.2 58.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.97 -37.25 76.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.77 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 53.5 t0 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.967 0.413 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.14 150.26 5.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.054 -0.594 . . . . 0.0 111.985 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.27 139.8 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.937 0.399 . . . . 0.0 111.305 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.77 148.11 20.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.806 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 9' ' ' PHE . 29.2 mt -96.49 143.31 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.084 0.468 . . . . 0.0 111.338 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.71 106.36 4.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.018 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 77.87 49.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.255 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt 62.02 14.17 6.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.444 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 93.1 t -125.33 139.98 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.2 m -102.28 147.71 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.393 0.616 . . . . 0.0 111.84 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -168.52 -179.85 41.07 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.69 128.0 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.291 0.567 . . . . 0.0 111.156 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.455 HG21 ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.52 120.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.634 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.5 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 mt -105.87 108.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -98.34 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -90.81 -16.32 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -53.03 -24.32 9.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.596 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.57 154.03 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.874 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.33 107.49 7.27 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 16.7 Cg_exo -67.66 150.11 83.69 Favored 'Cis proline' 0 C--N 1.347 0.463 0 C-N-CA 123.582 -1.424 . . . . 0.0 112.468 0.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.46 172.18 0.1 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.994 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.85 161.11 42.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.747 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD1' HG21 ' A' ' 16' ' ' ILE . 19.2 tp -116.99 115.05 24.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.379 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 146.97 23.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.101 0.477 . . . . 0.0 111.999 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -134.15 110.0 9.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.466 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.401 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.6 ttt85 -103.18 126.54 50.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -60.54 161.49 7.54 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.004 0.43 . . . . 0.0 110.783 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -32.16 71.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.988 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.37 -33.26 71.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.01 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.34 25.41 47.78 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.009 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -114.1 -19.02 11.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.714 0.292 . . . . 0.0 111.424 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -126.0 127.51 46.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.65 122.2 61.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.9 t60 -108.79 142.27 39.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.458 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 17.3 m -118.4 133.57 55.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.659 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 t -117.84 143.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.3 t -90.49 124.1 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 ' CD1' ' CD1' ' A' ' 107' ' ' ILE . 20.2 mt -88.04 -11.73 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.661 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 6.2 t -79.97 -30.18 39.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.77 0.319 . . . . 0.0 110.739 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -79.46 -24.01 42.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.7 mm -59.84 93.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.74 -30.9 69.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -160.27 166.65 29.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mp -117.37 134.89 54.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -127.95 143.89 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.53 156.28 45.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 p -73.12 153.27 90.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.36 157.36 62.16 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.5 -11.77 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.577 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -89.74 -0.03 57.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.363 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 61.8 m -107.07 113.91 27.65 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.876 0.37 . . . . 0.0 110.658 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.04 -18.86 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 100.46 13.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtm -78.69 120.57 23.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 76.9 mtp -151.04 136.68 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.4 tp -115.29 117.34 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -103.91 131.55 51.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.035 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mp -116.3 129.44 56.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.84 129.76 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.337 179.915 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.888 0.375 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -115.9 121.21 41.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -103.25 122.73 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -114.4 157.44 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.16 121.05 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.9 m-85 -99.66 140.65 33.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 0.0 111.853 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -101.97 12.5 36.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.24 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -153.43 131.38 11.74 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.931 0.396 . . . . 0.0 111.277 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.562 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 87.5 mtt180 -65.96 -48.29 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -34.66 78.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 110.715 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.0 t -70.46 -38.64 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.955 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.562 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 16.8 ptm -73.16 -32.76 65.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.507 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -74.89 -29.41 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.85 -33.16 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.0 mm -86.17 -43.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.967 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -59.4 -33.42 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -79.67 -42.99 23.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.411 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -66.19 -38.62 88.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.3 mt -67.05 -34.42 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -66.91 -32.54 73.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.52 -40.69 93.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.404 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 55.5 mt -58.17 -43.36 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.173 0.511 . . . . 0.0 109.819 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.8 mm -52.54 -52.24 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.848 0.832 . . . . 0.0 110.215 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.7 m -53.39 -30.02 37.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.243 -1.344 . . . . 0.0 111.277 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -71.29 -33.92 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -74.62 -31.87 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.69 -31.78 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.833 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.69 -38.09 80.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.15 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.949 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.874 0.369 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.95 155.45 26.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.899 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 138.22 56.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.45 . . . . 0.0 111.393 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.05 147.42 25.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.673 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 9' ' ' PHE . 31.3 mt -96.43 143.19 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.117 0.484 . . . . 0.0 111.319 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.36 106.34 4.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.4 mt-10 77.96 49.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.295 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 62.18 13.81 6.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 89.0 t -124.71 139.6 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -102.83 145.77 29.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.43 0.633 . . . . 0.0 111.792 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.34 -179.93 39.99 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.528 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.68 126.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 111.045 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.6 119.07 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.679 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.5 143.33 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -102.77 118.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.741 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -108.25 109.67 21.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -110.6 -5.98 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -61.53 -19.65 62.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -96.71 -161.9 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 120.808 0.337 . . . . 0.0 110.817 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.437 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 17.0 p -166.2 113.14 0.74 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.15 151.37 96.99 Favored 'Cis proline' 0 C--N 1.347 0.486 0 C-N-CA 123.494 -1.461 . . . . 0.0 112.53 0.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -54.39 170.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.637 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -156.85 146.64 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.508 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tt -106.97 114.12 28.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.399 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.25 25.84 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.026 0.441 . . . . 0.0 111.797 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.2 t90 -131.89 109.99 10.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.416 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 60.7 ttp180 -104.38 127.08 51.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.0 p -60.46 160.74 8.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.987 0.422 . . . . 0.0 110.902 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.0 -31.87 71.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.415 0.626 . . . . 0.0 110.035 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.52 -33.15 70.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.66 25.16 47.47 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.127 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -113.1 -19.86 11.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.704 0.288 . . . . 0.0 111.224 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -124.75 132.64 53.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.8 t -130.8 121.75 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.8 t60 -108.87 142.42 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.43 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 6.6 m -114.45 136.17 53.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.5 t -119.7 141.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.217 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 t -91.64 122.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 mt -88.14 -11.87 45.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.692 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 72.3 p -80.61 -29.0 36.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -80.58 -23.57 39.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.6 mm -58.76 92.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.0 -32.43 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -161.36 171.11 18.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.7 138.19 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -128.5 109.58 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.66 152.48 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.4 p -70.66 146.79 94.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.54 158.38 53.92 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.559 2.172 . . . . 0.0 112.447 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -13.99 62.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.454 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 t -89.78 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.344 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -106.85 112.9 26.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.825 0.345 . . . . 0.0 110.723 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.21 -19.19 19.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -89.82 97.54 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ptp -81.58 112.41 18.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.8 mtt -146.56 144.24 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.32 121.96 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -113.79 134.53 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 mp -125.01 128.41 48.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.52 134.72 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.576 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.924 0.392 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -106.5 120.94 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.3 ttp -99.95 118.74 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.747 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.64 155.32 22.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 m -124.23 123.04 39.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.393 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.2 m-85 -99.03 146.01 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 111.639 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -102.8 10.41 38.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -157.67 129.58 7.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 111.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 97' ' ' MET . 92.1 mtm-85 -61.46 -40.08 93.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.761 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -44.06 91.8 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.154 0.502 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.9 t -69.96 -33.32 54.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.637 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.444 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -76.68 -31.06 57.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.508 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 97' ' ' MET . 23.0 t70 -80.63 -26.69 37.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -73.53 -28.98 62.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.0 mm -86.05 -41.64 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.179 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -56.53 -33.59 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.2 mmm -81.98 -47.84 12.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.517 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 t -61.11 -44.71 96.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.658 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.5 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.404 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -34.41 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.691 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -63.96 -41.82 97.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.363 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 79.7 mt -57.17 -43.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.8 mm -53.13 -52.48 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.809 0.814 . . . . 0.0 110.289 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -55.24 -31.13 61.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.201 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -71.43 -33.13 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 29.0 m-85 -71.31 -28.91 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.648 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.49 -39.64 74.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.725 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.18 -37.33 77.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.77 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.938 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.985 0.421 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.65 148.49 17.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.975 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.79 139.13 58.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 0.0 111.302 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.405 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . . . -157.36 147.41 20.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.892 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.479 HG21 ' N ' ' A' ' 9' ' ' PHE . 31.1 mt -96.49 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.06 0.457 . . . . 0.0 111.237 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.525 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.0 t80 -144.37 106.35 4.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.055 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.5 mt-10 78.09 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.216 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? 62.39 12.91 5.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 95.9 t -123.73 137.84 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -101.62 143.59 31.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 0.0 111.786 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.58 -179.94 38.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.339 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.63 127.41 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 0.0 111.243 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.466 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.46 117.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.387 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.78 142.57 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mt -108.09 108.8 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.67 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -108.56 109.81 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -92.59 -15.21 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.19 -23.53 14.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.81 0.338 . . . . 0.0 110.702 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.39 154.39 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.0 107.79 8.9 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.742 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.33 148.64 90.44 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.543 -1.44 . . . . 0.0 112.443 0.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.51 168.46 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.2 154.04 28.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tt -109.93 118.2 35.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.25 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.46 147.17 25.52 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.005 0.431 . . . . 0.0 111.951 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -132.5 109.99 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.386 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.402 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 86.8 mtm-85 -104.28 127.6 51.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.071 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.08 159.8 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.73 -32.31 70.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.439 0.638 . . . . 0.0 110.026 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -72.69 -32.63 65.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.8 25.22 46.61 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -111.43 -21.02 12.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -123.26 126.26 46.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.698 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.6 t -124.93 120.64 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.9 t60 -109.02 142.36 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.4 m -115.72 132.12 56.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.725 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.83 139.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.259 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.72 122.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.8 mt -86.58 -11.86 50.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.469 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 8.3 t -79.82 -25.59 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.667 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 t -93.7 16.54 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -100.91 93.24 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.876 0.369 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.634 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -162.45 170.16 19.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.06 133.69 54.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.775 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -123.22 150.47 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.56 160.67 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 p -70.42 150.67 95.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.81 155.01 71.55 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.6 2.2 . . . . 0.0 112.372 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.99 62.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.552 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -0.36 57.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.371 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 m -106.96 112.9 26.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.665 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.89 -19.29 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -90.06 96.42 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 ptp -77.94 114.23 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.4 mtt -142.89 141.15 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.7 tp -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -115.94 129.83 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -111.6 130.6 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 mm -79.5 126.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.618 -179.91 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.872 0.368 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -99.6 109.52 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.0 ttp -102.14 122.72 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.26 153.67 25.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.99 117.99 31.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.385 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.0 m-85 -97.63 137.01 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.441 . . . . 0.0 111.749 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -97.15 9.77 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.415 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -155.23 125.34 6.67 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.943 0.402 . . . . 0.0 111.272 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 97' ' ' MET . 59.6 ttp180 -60.9 -40.38 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.653 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -42.7 95.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.49 -33.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.541 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.541 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.7 t0 -78.21 -28.22 47.96 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.752 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.4 -32.14 66.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.742 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.2 mm -86.05 -44.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.982 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.405 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 24.1 ttpp -57.64 -36.5 71.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.211 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.5 mtm -81.19 -40.51 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.347 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -69.24 -32.05 71.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.606 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.52 -29.5 66.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.385 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -67.16 -32.42 73.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.73 -39.76 91.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.26 -43.36 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.207 0.527 . . . . 0.0 109.908 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.6 mm -52.13 -52.63 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.734 0.778 . . . . 0.0 110.061 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -56.43 -29.84 62.1 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -71.82 -33.61 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 25.7 m-85 -70.99 -29.11 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -70.34 -39.72 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.724 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.14 -36.91 76.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.32 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.995 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.021 0.439 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.67 151.86 22.91 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.898 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.93 139.57 58.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.981 0.42 . . . . 0.0 111.261 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.84 148.34 20.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.775 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 9' ' ' PHE . 27.4 mt -96.59 143.21 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.115 0.483 . . . . 0.0 111.405 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.68 106.39 4.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.878 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.99 49.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.27 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt 62.23 13.4 5.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.461 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 85.5 t -124.81 139.39 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 t -101.44 146.45 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 111.839 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.16 -179.87 39.85 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.383 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -93.02 126.97 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.227 0.537 . . . . 0.0 111.171 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.54 122.61 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.881 -179.109 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.32 141.95 51.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.621 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 mt -105.81 110.52 31.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.744 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -102.44 109.84 21.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.46 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.06 -14.03 39.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -52.39 -25.0 8.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.016 0.436 . . . . 0.0 110.757 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.52 153.99 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.864 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.9 107.64 8.25 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.845 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.31 149.94 88.26 Favored 'Cis proline' 0 C--N 1.346 0.409 0 C-N-CA 123.408 -1.497 . . . . 0.0 112.457 0.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.38 172.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.053 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -152.8 160.95 43.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.036 0.446 . . . . 0.0 111.619 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.451 ' CD1' HG21 ' A' ' 16' ' ' ILE . 15.6 tp -112.88 116.56 30.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 146.31 24.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 121.058 0.456 . . . . 0.0 111.972 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.3 110.01 9.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.435 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.3 ttm105 -103.43 127.3 50.84 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.33 160.54 8.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.751 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.94 -32.25 70.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.406 0.622 . . . . 0.0 110.062 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -69.89 -33.61 72.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.018 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.96 24.62 48.19 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.028 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -113.09 -20.5 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.756 0.312 . . . . 0.0 111.311 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -123.49 130.7 53.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.752 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -129.25 122.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.8 t60 -108.86 142.23 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.307 0.575 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 12.0 m -118.19 133.29 56.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.54 144.26 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.8 t -90.51 124.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.478 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' A' ' 107' ' ' ILE . 16.3 mt -88.04 -11.74 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.738 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 90.5 p -79.31 -28.56 42.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -81.07 -23.44 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.979 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mm -62.63 91.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -61.83 -30.14 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -157.97 167.56 29.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 108' ' ' ILE . 2.4 mp -119.46 133.48 55.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.71 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' NE2' ' CD1' ' A' ' 63' ' ' ILE . 30.7 mt-30 -124.48 142.44 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.5 154.82 45.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 p -70.49 143.64 90.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.33 164.03 36.26 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.498 2.132 . . . . 0.0 112.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.43 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.556 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.9 t -89.76 -0.74 57.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.678 0.275 . . . . 0.0 111.328 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.1 114.81 29.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.716 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -19.54 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.655 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -95.12 119.43 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.8 ptp -97.84 118.53 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.5 mtp -151.07 143.16 24.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -115.07 117.73 31.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.758 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -104.84 135.19 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.067 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mp -116.42 129.84 56.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.676 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.402 ' CD1' ' NE2' ' A' ' 49' ' ' GLN . 8.8 mm -98.71 130.34 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.293 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.312 179.673 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.905 0.384 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -118.87 119.56 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.661 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 62.3 mtt -101.07 123.47 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.31 156.81 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.39 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.57 130.18 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.2 m-85 -109.51 151.48 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.561 . . . . 0.0 112.03 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -107.32 8.02 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.199 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -154.47 123.97 6.53 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.965 0.412 . . . . 0.0 111.304 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 97' ' ' MET . 74.8 ttt-85 -65.61 -26.68 67.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.914 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -45.04 33.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.242 0.544 . . . . 0.0 109.911 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.63 -32.19 54.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.606 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.454 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -74.94 -34.06 62.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.544 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.9 -28.93 60.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -71.92 -32.17 67.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.6 mm -84.57 -45.55 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.735 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -59.19 -42.29 90.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.4 tpp -68.15 -37.87 81.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -34.95 66.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.022 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.3 mt -69.73 -33.52 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.354 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.16 -34.36 77.39 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -64.99 -40.05 94.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.255 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.412 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 73.1 mt -58.29 -43.94 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.254 0.55 . . . . 0.0 109.885 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.401 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 6.8 mm -52.43 -52.49 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-O 121.852 0.834 . . . . 0.0 110.173 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t -55.23 -29.19 57.52 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -71.47 -33.89 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 44.2 m-85 -72.73 -28.18 62.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -32.4 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.807 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -58.66 -44.27 90.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.1 72.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.051 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.931 0.396 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.73 152.42 23.89 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.9 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.57 139.54 58.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 0.0 111.227 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.02 147.23 19.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.774 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.481 HG21 ' N ' ' A' ' 9' ' ' PHE . 29.5 mt -96.51 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.182 0.515 . . . . 0.0 111.417 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.91 106.37 4.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.887 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.02 49.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.249 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm 62.84 12.08 5.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 56.7 t -123.59 137.97 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.1 t -100.92 142.71 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.369 0.604 . . . . 0.0 111.624 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -162.18 -179.97 37.13 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.513 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.84 125.51 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.251 0.548 . . . . 0.0 111.152 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.457 HD12 HG23 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -101.48 121.9 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.992 -179.074 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.59 141.71 48.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mt -108.92 109.51 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -103.62 109.69 21.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.06 -15.67 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.26 -23.11 21.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.54 154.29 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.976 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.29 107.81 9.47 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.79 148.61 90.96 Favored 'Cis proline' 0 C--N 1.349 0.557 0 C-N-CA 123.465 -1.473 . . . . 0.0 112.532 0.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.36 172.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.93 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -155.25 157.79 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.128 0.489 . . . . 0.0 111.86 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 16' ' ' ILE . 2.2 tp -114.53 114.21 25.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.79 146.27 24.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.154 0.502 . . . . 0.0 111.932 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.5 t90 -134.27 112.01 10.7 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.588 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 21.2 ttp-105 -105.95 124.71 50.01 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -62.3 154.54 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -32.13 64.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.408 0.623 . . . . 0.0 110.275 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -66.99 -32.96 74.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.96 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.7 23.53 55.73 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.003 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -117.21 -17.13 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.634 0.254 . . . . 0.0 111.41 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -123.52 125.99 45.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.9 t -127.0 120.48 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.6 t60 -109.03 142.23 40.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.5 m -119.24 135.75 54.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.315 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -94.82 123.43 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.5 mt -88.04 -11.8 46.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.552 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.8 t -80.36 -28.26 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.7 t -83.21 -19.15 37.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.7 mm -63.48 93.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -62.89 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -159.11 168.47 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.32 125.92 45.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -117.8 152.68 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.55 164.51 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 p -70.44 148.36 95.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.49 153.95 69.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.656 2.237 . . . . 0.0 112.407 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.56 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.431 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 t -89.79 -0.41 57.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 m -107.06 113.17 26.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.96 -19.33 17.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.793 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -87.97 120.01 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 tpp -94.29 119.88 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 77.4 mtp -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -115.17 123.49 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -107.77 132.93 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mp -115.77 129.07 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.8 mm -94.78 118.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.062 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.773 0.321 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -117.65 109.9 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 43.6 ttm -94.91 122.27 37.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.69 155.08 24.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.26 119.99 36.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.43 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.6 m-85 -101.65 137.51 39.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 111.817 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -98.1 9.21 43.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.257 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -154.62 123.71 6.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.911 0.386 . . . . 0.0 111.343 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 97' ' ' MET . 41.4 ttp180 -60.87 -40.57 93.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -42.31 96.59 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.114 0.483 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.57 -33.52 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.626 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.12 -31.41 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.687 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 97' ' ' MET . 87.3 m-20 -78.16 -27.91 48.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -71.3 -32.46 68.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.16 -45.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.228 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.66 -30.75 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.2 -32.95 56.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.109 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.4 mt -70.97 -33.66 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.495 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -67.74 -35.08 78.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.134 0.492 . . . . 0.0 110.517 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 95.9 mm-40 -63.37 -41.49 98.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.53 -43.03 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 110.002 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.7 mm -53.09 -52.13 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.788 0.804 . . . . 0.0 110.257 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -54.33 -29.75 48.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.273 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.43 -36.14 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.993 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -74.17 -30.47 62.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -75.17 -31.48 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.63 -37.88 79.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.15 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.86 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.884 0.373 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.48 148.8 19.53 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.823 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 138.0 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 0.0 111.347 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.68 147.11 25.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.721 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.475 HG21 ' N ' ' A' ' 9' ' ' PHE . 27.4 mt -96.53 143.14 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.179 0.514 . . . . 0.0 111.385 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.513 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.11 106.27 4.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.861 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.3 mt-10 78.14 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 mttm 62.33 13.33 5.91 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 97.0 t -124.39 138.36 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -102.63 144.6 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.462 0.649 . . . . 0.0 111.777 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.07 -179.88 39.26 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.452 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.7 127.52 43.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.232 0.539 . . . . 0.0 111.126 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.76 118.6 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.654 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.46 142.97 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 mt -105.83 117.98 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.701 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -109.08 109.63 20.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -111.64 -5.33 14.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.63 -19.58 63.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.67 -162.06 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.429 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.52 113.13 0.8 Allowed Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -73.79 151.49 97.08 Favored 'Cis proline' 0 C--N 1.347 0.494 0 C-N-CA 123.516 -1.452 . . . . 0.0 112.473 -0.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.419 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.37 172.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.677 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -157.02 146.66 20.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.517 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -109.14 113.6 26.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 147.14 25.84 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 121.032 0.444 . . . . 0.0 111.829 -178.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.513 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -132.43 109.96 10.19 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.476 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -105.23 126.71 52.39 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.1 p -60.52 160.82 8.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.05 -31.91 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.484 0.659 . . . . 0.0 110.04 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.56 -33.46 71.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.43 24.66 46.14 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.194 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -113.79 -19.23 11.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 111.294 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -124.01 127.29 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.74 121.34 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.4 t60 -108.9 142.29 39.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.46 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.9 m -115.41 131.13 57.03 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.739 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 t -114.74 139.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.243 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 t -93.81 119.62 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.34 -11.82 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.605 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 9.6 t -80.46 -26.25 38.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.684 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -95.65 20.89 9.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.4 mm -105.13 101.09 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.99 -26.46 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.815 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.67 165.6 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 pp -133.08 116.6 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -110.95 154.4 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.53 161.05 38.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.4 p -70.57 148.86 95.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 161.81 44.54 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.543 2.162 . . . . 0.0 112.407 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -12.09 61.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.53 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.09 57.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 0.0 111.295 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -104.61 114.31 28.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.608 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.19 -18.98 29.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.708 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -96.05 103.94 15.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtt -81.63 122.71 27.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.6 mtt -150.16 138.33 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 tp -115.33 117.51 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.797 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -103.26 139.08 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.09 124.12 43.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.4 129.86 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.942 0.401 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -109.34 115.08 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.6 mtt -100.1 125.32 46.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 84.9 m-85 -117.1 161.85 18.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.08 118.91 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.457 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.5 m-85 -98.71 137.74 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -97.94 10.44 40.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.444 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -155.3 121.63 5.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.909 0.385 . . . . 0.0 111.222 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -64.89 -27.43 68.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.759 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -46.15 40.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.281 0.562 . . . . 0.0 110.048 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.9 -32.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.553 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.448 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.548 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.03 -29.52 61.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.03 -32.19 68.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.8 mm -86.0 -44.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.029 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.409 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 21.7 ttpp -56.57 -40.58 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.7 mtm -74.45 -40.33 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.357 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 t -71.4 -30.01 65.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.519 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.8 mt -72.7 -33.51 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.303 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.403 ' HA ' HG12 ' A' ' 108' ' ' ILE . 56.5 mt-30 -66.78 -32.71 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -41.38 93.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 80.3 mt -57.77 -43.53 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.886 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.3 mm -52.64 -52.56 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.823 0.82 . . . . 0.0 110.237 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -56.21 -31.24 63.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -72.16 -33.71 67.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 19.9 m-85 -71.7 -29.03 64.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.576 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -70.56 -39.34 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.694 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -59.45 -36.59 76.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.44 71.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.977 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.033 0.444 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.26 146.34 13.81 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.907 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.45 138.49 58.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 0.0 111.324 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.43 147.97 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.772 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 9' ' ' PHE . 28.3 mt -96.55 143.19 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 121.133 0.492 . . . . 0.0 111.352 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.515 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.78 106.35 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.856 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.0 mt-10 78.24 49.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.201 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.54 13.09 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 98.2 t -124.2 138.29 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.8 t -101.46 144.48 30.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.368 0.604 . . . . 0.0 111.807 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.72 -179.89 39.03 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.447 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.14 126.83 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.238 0.542 . . . . 0.0 111.14 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.484 HG22 HD11 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -101.72 120.49 51.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.628 -179.519 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.5 143.51 45.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -102.44 115.6 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -105.56 109.74 21.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -109.47 -5.44 15.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.958 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.56 -19.85 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.298 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -95.42 -162.22 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.449 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.01 113.06 0.76 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.92 151.96 97.6 Favored 'Cis proline' 0 C--N 1.347 0.453 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.471 -0.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HA ' HG11 ' A' ' 22' ' ' VAL . . . -54.27 165.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -152.98 148.63 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 111.38 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 tt -107.49 115.42 30.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.373 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.06 147.22 25.78 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.155 0.502 . . . . 0.0 111.791 -178.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -131.89 109.97 10.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.483 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.401 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 88.6 mtt180 -104.42 128.25 52.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -59.93 161.43 6.59 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -32.4 71.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.481 0.658 . . . . 0.0 110.084 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.86 -32.25 61.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.05 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.35 25.76 46.31 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.052 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -107.69 -21.25 12.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.797 0.332 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -127.13 130.31 49.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.77 122.69 61.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.217 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.9 t60 -108.91 142.31 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.428 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.2 m -114.69 136.73 52.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t -116.67 141.89 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.282 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.8 t -94.56 123.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 107' ' ' ILE . 12.9 mt -86.86 -11.79 49.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.688 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 4.7 t -80.24 -25.75 39.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.691 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 t -96.2 21.27 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.2 mm -104.5 95.88 4.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.251 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -61.47 -30.98 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -170.47 156.08 5.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.27 125.26 48.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.72 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -108.88 146.06 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.84 157.38 46.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.45 143.51 90.5 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.46 157.88 48.64 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.549 2.166 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.51 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m -89.94 0.67 56.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.283 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -106.32 112.24 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 110.632 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -56.78 -19.24 16.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -86.47 123.23 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -101.37 105.75 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 81.7 mtp -151.05 136.49 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 tt -115.34 122.35 45.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -103.47 145.41 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.5 123.35 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 33.4 mm -76.02 139.22 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -103.8 109.53 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.7 mtt -96.04 122.53 38.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -114.13 159.03 20.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.26 119.07 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.605 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.9 m-85 -98.49 138.29 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.031 0.443 . . . . 0.0 111.703 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.63 10.04 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.543 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -153.8 125.69 7.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.33 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 97' ' ' MET . 94.3 mtt180 -63.25 -28.09 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 -45.05 40.7 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.304 0.573 . . . . 0.0 109.91 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.38 -31.51 51.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.882 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 12.6 ptt? -77.31 -33.08 55.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.46 -24.88 36.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -73.92 -29.47 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.4 mm -86.07 -43.57 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.355 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -50.37 -38.12 40.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.471 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.5 mtm -71.66 -48.34 48.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 111.138 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 -41.32 91.23 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.22 -35.91 82.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -67.66 -32.99 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.656 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.66 -40.53 92.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.217 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 82.9 mt -57.88 -43.95 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.127 0.489 . . . . 0.0 109.794 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.2 mm -52.27 -52.5 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.748 0.785 . . . . 0.0 110.195 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -56.2 -31.61 63.61 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.089 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -72.81 -34.49 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 16.9 m-85 -72.74 -28.99 62.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.533 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -71.5 -37.18 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.718 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -58.31 -36.96 74.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.18 73.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.936 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.944 0.402 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.57 149.03 20.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.809 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 137.3 58.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.21 147.08 24.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.806 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 9' ' ' PHE . 31.4 mt -96.47 143.22 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.041 0.448 . . . . 0.0 111.409 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.32 106.27 4.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.024 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.7 mt-10 77.97 49.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.292 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.44 12.72 5.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 93.2 t -123.79 138.46 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.3 t -101.98 143.97 31.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.535 0.683 . . . . 0.0 111.916 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.5 -179.91 39.51 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.107 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -92.33 128.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.324 0.583 . . . . 0.0 111.195 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.461 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -101.75 118.13 48.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.693 -179.467 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.47 142.28 40.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mt -109.66 110.18 31.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -109.6 109.8 20.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -93.85 -14.15 26.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.6 -23.36 27.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.943 0.401 . . . . 0.0 110.69 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.27 154.81 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.007 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.72 107.99 8.41 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.5 148.42 88.37 Favored 'Cis proline' 0 C--N 1.348 0.546 0 C-N-CA 123.657 -1.393 . . . . 0.0 112.402 0.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.71 169.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.4 156.56 32.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 0.0 111.467 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -113.45 118.78 35.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.349 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.2 147.3 25.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.048 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.7 t90 -132.96 109.94 9.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.542 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -104.38 126.68 51.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.09 161.41 6.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.776 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -32.35 71.35 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.03 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.98 -33.44 70.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.036 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.78 25.11 47.14 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.072 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -112.74 -19.67 11.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.285 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -125.26 126.34 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.727 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.1 t -125.31 121.95 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.069 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.2 t60 -108.91 142.27 39.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 5.8 m -113.59 133.61 55.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.55 141.34 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.5 t -91.93 123.44 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.644 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.0 -11.8 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.676 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -79.44 -28.78 41.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -82.74 -17.93 42.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.6 mm -68.49 93.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.237 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -62.22 -30.13 70.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.77 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -164.42 154.37 14.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pp -115.04 116.17 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -103.46 145.83 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.4 155.0 49.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.4 p -70.58 149.51 95.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.77 169.06 18.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.624 2.216 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.09 -6.04 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.601 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -89.79 -0.71 57.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.11 112.56 25.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.695 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.78 -18.57 22.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.913 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -92.88 135.3 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.31 120.06 38.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 38.4 ttm -151.13 129.82 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -115.14 122.86 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -105.5 130.07 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.004 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mp -109.42 130.54 55.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.0 124.02 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.385 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.919 0.39 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -111.74 116.0 30.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 71.2 mtm -96.18 111.04 23.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.55 143.54 32.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.8 122.62 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.463 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.0 m-85 -101.01 146.46 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 111.721 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -102.64 8.7 39.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.448 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -161.34 134.4 6.32 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.943 0.402 . . . . 0.0 111.636 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.5 mtt180 -64.42 -40.8 96.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.475 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -39.97 95.76 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.156 0.503 . . . . 0.0 110.603 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.2 t -72.64 -35.12 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.384 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.467 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 7.5 ptm -75.61 -32.64 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.324 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 -28.77 48.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.17 -32.7 67.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.07 -44.37 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.3 -41.11 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mmm -72.25 -38.68 68.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.129 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -37.29 69.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.96 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.9 mt -68.04 -31.96 71.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.285 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.406 ' HA ' HG12 ' A' ' 108' ' ' ILE . 1.7 mm100 -66.2 -35.76 81.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.16 -41.49 97.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.308 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 80.7 mt -57.57 -43.79 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.406 HG12 ' HA ' ' A' ' 105' ' ' GLN . 4.9 mm -52.24 -52.6 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.81 0.814 . . . . 0.0 110.236 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.2 m -53.43 -29.81 37.24 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.321 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -71.26 -34.14 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 59.2 m-85 -70.38 -28.52 65.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.669 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -69.44 -35.02 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.36 -37.58 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.72 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.31 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 121.035 0.445 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 149.69 20.27 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.787 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.25 137.3 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 0.0 111.385 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.55 148.07 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.674 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 9' ' ' PHE . 30.9 mt -96.5 143.35 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 111.391 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.7 t80 -144.79 106.38 4.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.069 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.57 49.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.376 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? 61.44 15.03 6.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 79.0 t -125.63 140.19 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 m -103.09 147.95 26.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.5 0.667 . . . . 0.0 112.062 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -170.18 180.0 42.06 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.049 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -93.87 129.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.363 0.601 . . . . 0.0 111.221 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.459 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -101.78 118.6 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.636 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.8 143.17 43.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -104.16 118.52 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 120.986 0.422 . . . . 0.0 110.671 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -109.07 109.68 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 7.1 pt-20 -111.01 -5.66 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.927 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.82 -19.81 62.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.268 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -96.7 -161.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.432 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 17.6 p -165.98 113.31 0.77 Allowed Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.788 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.19 151.55 97.2 Favored 'Cis proline' 0 C--N 1.348 0.506 0 C-N-CA 123.481 -1.466 . . . . 0.0 112.46 -0.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' HA ' HG11 ' A' ' 22' ' ' VAL . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.612 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -156.67 147.05 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 111.476 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 tt -108.14 113.92 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.381 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 147.27 25.77 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 121.099 0.476 . . . . 0.0 111.757 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -131.38 109.92 10.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.451 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.403 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 93.9 mtt-85 -103.77 125.32 50.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -56.91 164.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.811 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -33.5 70.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.404 0.621 . . . . 0.0 109.983 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -77.33 -37.83 51.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 -23.65 29.01 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.102 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.13 -21.63 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -107.35 126.25 52.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.947 0.403 . . . . 0.0 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.99 113.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.8 t60 -110.88 142.22 43.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.206 0.527 . . . . 0.0 111.231 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 9.0 m -114.38 132.55 56.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.803 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t -116.38 142.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.322 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.9 t -94.36 122.98 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.664 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.7 mt -87.96 -11.88 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.612 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 12.0 t -80.55 -27.57 37.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.896 0.379 . . . . 0.0 110.79 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.3 t -86.19 -5.86 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.354 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.5 mm -80.38 98.97 3.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.882 0.373 . . . . 0.0 111.244 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -60.92 -27.93 68.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.713 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -172.18 149.26 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -109.19 116.42 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.791 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -104.18 155.42 18.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.6 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.6 p -70.5 152.13 95.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.47 159.25 51.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.532 2.154 . . . . 0.0 112.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -10.63 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.57 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.6 m -89.74 -0.06 57.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 114.19 28.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -57.24 -19.34 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -90.52 104.53 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.08 114.65 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.0 mtt -145.11 146.84 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 91' ' ' PHE . 3.2 mm? -115.32 137.76 51.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -116.87 124.88 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mp -101.76 132.51 47.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 63' ' ' ILE . 21.6 mm -104.01 123.8 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.135 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.4 179.856 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -128.05 112.04 14.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -100.02 119.84 38.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -111.32 155.68 22.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.049 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.55 120.56 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.8 m-85 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.055 0.455 . . . . 0.0 111.663 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -97.26 10.87 38.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.48 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -155.22 117.36 4.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.975 0.417 . . . . 0.0 111.151 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -60.86 -29.02 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.893 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.19 -47.3 44.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.249 0.547 . . . . 0.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.17 -31.07 51.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.577 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.447 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -73.51 -33.16 64.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.647 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 97' ' ' MET . 46.8 t0 -73.73 -29.42 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.79 -30.1 63.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mm -86.13 -42.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 22.0 ttpp -57.78 -39.55 77.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.266 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.7 mtt -77.26 -40.47 44.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.394 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -69.95 -31.4 69.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.7 mt -71.72 -34.4 69.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -66.55 -31.63 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.17 -42.3 93.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.333 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.19 -43.58 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.115 0.483 . . . . 0.0 109.838 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.2 mm -52.31 -52.81 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.808 0.814 . . . . 0.0 110.162 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.6 t -57.03 -27.13 61.36 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -33.25 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 30.8 m-85 -71.27 -28.76 64.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.39 -39.79 74.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.744 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.29 -32.92 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.857 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.017 0.437 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.25 150.85 22.45 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.97 138.51 58.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.99 0.424 . . . . 0.0 111.331 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.764 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 9' ' ' PHE . 29.3 mt -96.61 143.16 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 CA-C-O 121.051 0.453 . . . . 0.0 111.314 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.82 106.36 4.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.912 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.23 49.54 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.217 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm 62.45 13.11 5.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 98.3 t -124.11 138.53 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -101.81 144.75 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.378 0.608 . . . . 0.0 111.768 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.85 -179.95 39.16 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.368 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.53 126.35 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 0.0 111.089 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.67 119.92 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.659 -179.486 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.35 142.8 46.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.92 113.12 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.75 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -102.47 109.67 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 6.5 pt-20 -108.75 -3.8 17.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.908 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -63.68 -19.9 65.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.162 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.55 -161.9 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.777 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.446 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.18 113.22 0.75 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.96 151.6 97.22 Favored 'Cis proline' 0 C--N 1.346 0.444 0 C-N-CA 123.632 -1.403 . . . . 0.0 112.265 -0.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -156.57 150.25 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 111.477 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -110.47 112.8 24.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.545 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.21 25.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.815 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -131.41 110.71 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.425 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -105.27 127.1 52.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.13 160.04 8.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.964 0.411 . . . . 0.0 110.779 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -32.2 70.34 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.413 0.625 . . . . 0.0 110.012 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.57 -32.63 64.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.51 25.47 46.86 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.012 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -109.82 -20.48 12.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -126.29 128.21 46.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.02 121.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.139 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.6 t60 -108.95 142.36 39.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.193 0.52 . . . . 0.0 111.082 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 8.6 m -115.1 131.77 56.82 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.89 141.45 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.14 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.08 120.22 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 mt -84.49 -11.87 55.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.55 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 7.5 t -81.15 -24.86 37.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.721 0.296 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -95.1 20.68 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.0 mm -96.61 100.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.16 -27.37 65.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -176.63 163.74 2.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.74 138.35 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -127.18 138.21 53.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.792 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.62 154.92 49.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -70.58 151.91 95.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.21 152.04 76.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.183 . . . . 0.0 112.384 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.82 -15.59 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.496 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.2 m -89.73 -0.12 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.336 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 113.67 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.79 -18.98 25.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.777 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -84.4 112.05 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.8 mtm -88.54 116.54 26.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 85.8 mtp -150.99 133.58 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 tp -115.3 113.1 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.541 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -103.01 135.32 44.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mp -111.54 128.3 55.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.736 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.1 mm -86.77 127.63 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.359 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.887 0.375 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.54 109.46 21.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.533 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 37.2 ttm -94.9 128.28 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 87.6 m-85 -119.35 163.04 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.37 122.39 33.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.407 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.7 m-85 -103.62 150.25 24.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.0 111.871 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -108.1 10.9 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.132 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -156.29 129.48 8.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.892 0.377 . . . . 0.0 111.36 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 97' ' ' MET . 95.6 mtt180 -67.45 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.72 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -44.89 33.65 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.231 0.538 . . . . 0.0 109.773 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.4 -32.28 54.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.709 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.462 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -75.93 -34.26 59.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -79.24 -27.1 42.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -71.08 -31.41 67.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.6 mm -85.21 -46.69 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -58.99 -39.26 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.747 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 tpp -70.76 -38.92 73.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.401 ' O ' ' CG ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -77.34 -24.34 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 179.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.422 ' O ' HG12 ' A' ' 108' ' ' ILE . 30.9 mt -80.8 -29.57 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -71.09 -35.78 71.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 103' ' ' THR . 10.1 pt20 -66.21 -38.17 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.018 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.83 -43.54 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.87 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 104' ' ' LEU . 6.6 mm -52.76 -52.36 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.864 0.84 . . . . 0.0 110.3 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.8 t -54.44 -30.78 53.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.288 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -71.19 -32.11 68.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 38.5 m-85 -71.18 -28.49 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.681 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -69.65 -35.6 75.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.766 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.06 -37.85 81.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.41 73.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.874 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.996 0.427 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.39 147.25 14.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.82 138.47 58.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.105 0.478 . . . . 0.0 111.301 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . . . -154.08 148.29 25.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.791 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 9' ' ' PHE . 26.3 mt -96.6 143.15 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.072 0.463 . . . . 0.0 111.345 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.516 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.18 106.29 4.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.846 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.7 mt-10 78.55 49.26 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.214 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttt 62.16 13.84 6.14 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 61.5 t -124.9 138.6 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -101.52 146.05 28.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.397 0.618 . . . . 0.0 111.777 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.4 -179.93 40.02 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.368 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.28 127.66 44.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.23 0.538 . . . . 0.0 111.117 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.459 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.73 118.47 48.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.686 -179.498 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.19 143.55 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.19 119.72 50.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.06 109.61 20.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.416 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 8.0 pt-20 -112.88 -6.7 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.86 -19.54 62.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.315 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.61 -162.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.437 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.53 112.96 0.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.66 151.27 96.82 Favored 'Cis proline' 0 C--N 1.347 0.499 0 C-N-CA 123.526 -1.447 . . . . 0.0 112.453 0.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -54.4 169.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.89 146.43 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.401 . . . . 0.0 111.388 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 tt -106.25 115.52 30.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 147.27 25.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.921 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.516 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -132.35 110.02 10.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 98.0 mtt180 -103.45 127.6 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -60.01 161.83 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 110.743 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.29 -31.99 71.83 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.423 0.63 . . . . 0.0 110.006 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.69 -32.26 65.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.074 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.09 24.66 47.5 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.083 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -112.1 -22.2 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -120.26 127.79 52.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.1 t -126.91 120.59 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.18 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' TRP . 8.2 t60 -108.97 142.26 39.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.419 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 6.9 m -114.86 135.42 54.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.706 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.5 t -117.94 140.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.248 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.03 122.86 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.06 -11.78 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.581 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 35.0 p -80.59 -24.91 38.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -96.56 20.88 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.0 mm -103.53 101.52 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.874 0.368 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.55 -26.33 65.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -173.61 165.97 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 pp -124.57 123.76 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.722 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -108.55 147.38 31.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.46 151.38 43.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.6 p -71.87 143.97 87.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.5 164.94 32.8 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.586 2.19 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.94 -12.76 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.468 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.77 -0.52 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.09 114.9 29.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.378 . . . . 0.0 110.583 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.96 -18.95 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.752 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -95.79 104.33 16.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.84 110.3 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.7 mtp -144.86 144.4 31.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.019 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -115.38 125.57 53.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -110.92 142.4 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.44 124.68 44.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.4 mm -89.8 125.17 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.404 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.879 0.371 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -102.07 112.8 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 47.5 ttm -96.01 122.22 38.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.003 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.65 156.86 22.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.47 118.56 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.3 m-85 -98.82 140.12 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.118 0.485 . . . . 0.0 111.659 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -99.53 10.74 40.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.478 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -155.74 129.65 8.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 111.424 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -66.63 -27.9 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.817 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.41 -45.5 46.25 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.297 0.57 . . . . 0.0 110.047 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -69.69 -32.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.746 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.45 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 3.2 ppp? -78.64 -31.92 47.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.4 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -80.64 -26.07 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.65 -29.35 61.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 mm -85.96 -41.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -54.67 -35.34 63.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.474 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mtm -78.67 -47.68 16.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.948 0.404 . . . . 0.0 111.516 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -62.19 -40.61 96.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.613 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.32 -33.25 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.449 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -66.58 -32.92 74.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.57 -41.12 93.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.408 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.08 -43.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.461 . . . . 0.0 109.955 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.5 mm -52.58 -52.44 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.71 0.766 . . . . 0.0 110.184 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 p -53.67 -35.84 61.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.113 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -67.08 -32.11 73.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 27.5 m-85 -71.83 -28.9 63.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.664 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.83 -34.22 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.34 -37.71 78.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.22 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.921 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.003 0.43 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 149.28 18.64 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.915 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.97 138.22 58.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.041 0.448 . . . . 0.0 111.345 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.77 148.56 22.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.762 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 9' ' ' PHE . 30.6 mt -96.54 143.27 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 CA-C-O 121.093 0.473 . . . . 0.0 111.377 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.6 t80 -143.53 106.36 4.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.147 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 58.0 mm-40 77.61 50.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.337 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 61.83 13.32 5.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 74.7 t -124.55 139.22 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -100.58 146.7 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.473 0.654 . . . . 0.0 111.896 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.26 -179.93 40.48 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.079 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.483 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -94.91 129.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.34 0.59 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.52 123.28 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.96 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.94 49.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.71 110.87 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.63 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -93.15 109.47 20.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -107.41 -7.24 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.61 -20.77 50.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.92 -161.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.672 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.463 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -167.42 113.92 0.65 Allowed Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.95 153.36 95.95 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.674 -1.386 . . . . 0.0 112.192 0.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . -54.18 172.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.49 161.03 40.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 111.544 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 1.7 tm? -115.14 106.97 14.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.108 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.6 146.57 25.04 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 120.994 0.426 . . . . 0.0 112.083 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -134.3 110.02 9.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.591 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.416 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 38.9 ttm180 -102.44 128.48 49.03 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -61.16 161.43 8.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.853 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -32.08 72.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.014 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.29 -32.38 68.58 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.09 51.03 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.05 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -114.03 -19.75 11.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.789 0.328 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -124.49 127.31 47.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.93 124.89 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.2 t60 -108.85 142.19 39.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.298 0.57 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 17.8 m -119.49 134.71 55.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.78 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 16.7 t -122.12 142.36 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.231 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -94.33 117.82 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.89 -11.59 59.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.673 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 1.3 t -77.04 -24.71 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.836 0.351 . . . . 0.0 110.697 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -96.55 24.26 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.4 mm -104.21 100.24 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.94 0.4 . . . . 0.0 111.2 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -59.54 -28.01 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -176.36 165.13 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.834 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.6 pt? -128.02 130.75 48.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.744 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -119.42 161.79 19.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.58 154.78 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -70.61 148.09 94.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.16 161.65 45.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.533 2.155 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.7 -11.66 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.558 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.0 m -89.75 -0.18 57.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 p -104.21 113.36 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.585 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.57 -19.07 23.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -96.01 117.32 30.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.4 mmm -91.34 119.57 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.05 145.86 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -115.13 133.37 56.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.458 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 mtt85 -102.98 145.32 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 tp -126.89 117.15 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.6 mm -88.91 125.38 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.134 179.632 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.935 0.398 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -123.72 116.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.581 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.9 mtm -102.73 117.53 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 58.7 m-85 -105.04 149.47 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.77 126.82 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.343 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.3 m-85 -108.23 139.97 42.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.518 . . . . 0.0 112.044 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -101.4 9.8 41.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.1 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -153.8 125.63 7.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 111.408 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -63.49 -41.68 98.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.517 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.92 97.82 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.089 0.471 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.0 t -69.31 -37.93 76.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.5 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.446 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 2.5 ptt? -72.31 -35.48 68.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -72.29 -31.32 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -70.81 -34.72 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.482 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.8 mm -86.24 -43.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.9 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.411 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 7.9 ttpm? -55.15 -49.9 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.74 -34.12 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -36.09 66.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.2 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.1 mt -68.44 -35.01 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.454 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.408 ' HA ' HG12 ' A' ' 108' ' ' ILE . 64.0 mt-30 -66.57 -34.46 77.95 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -65.35 -40.64 93.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.4 mt -57.98 -44.01 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.192 0.52 . . . . 0.0 109.856 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.408 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.4 mm -51.59 -52.69 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.854 0.835 . . . . 0.0 110.133 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.4 t -52.67 -28.49 21.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.208 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -70.29 -35.04 73.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 66.0 m-85 -71.51 -27.88 63.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.644 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -35.25 70.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.655 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -60.81 -39.21 88.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.31 -33.32 74.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.9 t0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.998 0.428 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.25 153.51 24.59 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.926 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.02 139.32 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.93 0.395 . . . . 0.0 111.344 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.24 149.04 22.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.606 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 9' ' ' PHE . 28.2 mt -96.57 143.4 12.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 111.279 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t80 -144.57 106.35 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.117 178.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 71.8 mt-10 77.5 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.21 15.2 6.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.454 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 71.2 t -126.2 140.37 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.3 p -99.19 150.46 22.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.42 0.629 . . . . 0.0 111.807 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.17 174.02 44.82 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.592 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -90.41 126.65 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.445 HG23 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -101.21 122.5 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.996 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.94 141.82 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mt -107.29 109.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -102.46 109.71 21.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.52 -14.57 28.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.229 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.74 -23.83 19.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.95 0.405 . . . . 0.0 110.632 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.86 154.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.004 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.36 107.94 9.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.31 148.4 91.18 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 123.444 -1.482 . . . . 0.0 112.658 0.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.43 172.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.998 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -156.35 160.54 39.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.131 0.491 . . . . 0.0 111.696 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' CD1' HG21 ' A' ' 16' ' ' ILE . 14.6 tp -112.49 114.61 27.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.137 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.51 24.32 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.141 0.496 . . . . 0.0 112.33 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.44 109.87 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.388 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' ILE . 2.1 mpt_? -101.69 125.05 48.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -57.98 154.57 12.25 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.066 0.46 . . . . 0.0 111.043 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -30.82 66.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.93 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -71.93 -32.37 67.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.98 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.86 24.51 48.99 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.046 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -114.49 -18.36 11.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.326 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -125.9 133.27 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.49 120.87 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.0 t60 -108.94 142.14 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.991 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.7 m -122.42 133.19 54.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.752 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -113.05 133.34 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.56 112.84 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.33 -11.86 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.793 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.408 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 82.7 p -78.67 -26.9 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.682 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -86.67 -22.18 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.1 mm -62.34 94.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.735 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -161.18 164.48 30.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.406 ' CD1' ' CG ' ' A' ' 105' ' ' GLN . 2.3 pt? -127.39 135.88 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -124.36 144.86 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.77 160.69 38.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.231 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.31 147.27 95.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.4 154.2 69.48 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.42 -17.73 64.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -89.75 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.397 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -107.04 113.8 27.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.21 -18.8 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.21 116.87 24.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.75 113.1 24.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.6 mtp -150.95 133.38 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tt -115.34 128.36 56.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -108.81 137.82 46.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.988 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mp -119.3 127.96 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.18 136.35 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.286 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.847 0.356 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -120.58 109.45 15.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.6 ttp -96.85 122.54 39.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 81.0 m-85 -112.78 156.3 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.6 116.65 22.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.194 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.9 m-85 -97.62 132.58 43.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.049 0.452 . . . . 0.0 111.72 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -94.07 8.86 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.412 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -149.77 126.91 11.29 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 111.35 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.513 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 35.3 ttm180 -63.2 -47.81 80.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.726 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -34.71 78.93 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.6 t -70.35 -37.48 71.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.951 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.513 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 12.3 ptt? -73.8 -33.29 64.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.664 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.67 -28.13 51.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.784 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -71.57 -34.41 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.2 mm -86.14 -45.22 16.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.041 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -59.07 -43.06 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.7 mmm -66.45 -36.29 82.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -38.16 53.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.947 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -29.74 65.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.812 179.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.406 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 55.7 mt-30 -65.29 -35.74 81.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.98 -39.32 90.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 76.0 mt -59.16 -43.74 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.795 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.404 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.0 mm -52.2 -52.65 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 CA-C-O 121.791 0.805 . . . . 0.0 110.095 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -55.87 -26.16 45.76 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -34.76 64.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.738 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.408 ' CE1' ' HA ' ' A' ' 43' ' ' SER . 47.4 m-85 -74.06 -31.39 62.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -75.17 -34.76 61.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.08 -38.78 83.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.33 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.853 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.869 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.31 153.34 24.1 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.011 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -65.14 139.57 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 111.295 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.67 147.95 22.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.798 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.461 HG21 ' N ' ' A' ' 9' ' ' PHE . 30.0 mt -96.63 143.3 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.101 0.477 . . . . 0.0 111.268 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.522 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.5 t80 -145.55 106.32 4.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.921 178.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.2 mt-10 78.26 49.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.244 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm 62.04 14.22 6.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 96.8 t -125.05 139.65 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 m -102.43 146.35 28.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.347 0.594 . . . . 0.0 111.833 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.39 -179.88 39.99 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.391 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.98 126.58 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.267 0.556 . . . . 0.0 111.148 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.459 HG23 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -101.45 122.82 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.918 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.53 142.75 49.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.621 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -103.59 115.27 45.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -100.03 109.68 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -109.25 -7.23 15.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.99 -19.97 55.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.208 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.25 -162.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.455 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 16.5 p -166.46 113.38 0.72 Allowed Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.58 152.54 97.8 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.418 -1.493 . . . . 0.0 112.494 0.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . -54.32 172.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -148.69 160.95 42.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.424 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD1' HG21 ' A' ' 16' ' ' ILE . 18.1 tp -119.71 110.57 16.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.428 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 146.37 24.22 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-O 121.04 0.448 . . . . 0.0 111.948 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.522 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.2 110.0 9.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.47 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 77.5 mtm180 -103.42 126.68 50.71 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.45 160.13 9.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.933 0.397 . . . . 0.0 110.775 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -32.22 70.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.4 0.619 . . . . 0.0 109.989 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.82 -33.1 68.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.048 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.45 23.77 49.56 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.213 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -111.96 -20.3 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.663 0.268 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -122.37 126.49 48.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.1 t -125.85 120.73 58.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.187 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.8 t60 -108.89 142.28 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.166 0.508 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.456 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 25.9 m -121.69 132.03 54.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.794 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.17 142.86 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.07 121.91 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.693 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 mt -85.42 -11.74 53.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.558 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -80.12 -25.27 39.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 110.758 179.735 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -95.07 20.66 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mm -98.82 98.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.69 -26.81 68.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.24 162.26 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -123.48 134.3 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -118.15 153.2 34.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.54 158.01 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.36 147.71 95.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.6 153.96 68.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.601 2.201 . . . . 0.0 112.433 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -17.5 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.452 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.78 -0.74 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.43 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -107.05 114.03 27.86 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.33 -18.84 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.675 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -85.75 119.79 26.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.9 mtt -97.07 112.04 23.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 56.4 mtt -151.14 131.93 14.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.961 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mp -115.3 119.14 35.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.97 126.22 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.75 130.89 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.2 mm -74.45 145.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.252 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 -179.733 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -108.3 117.07 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -104.27 129.27 52.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -117.53 161.01 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.45 123.22 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.269 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.9 m-85 -100.96 136.64 40.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.152 0.501 . . . . 0.0 111.848 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -98.46 9.98 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.263 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -152.88 129.22 10.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 97' ' ' MET . 8.5 tpp180 -64.78 -46.79 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.733 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -39.46 94.28 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.063 0.458 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.95 -33.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.676 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.46 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -74.85 -31.73 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.749 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -79.52 -27.42 41.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.59 -32.13 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mm -86.02 -44.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.41 -45.6 80.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.2 mtp -69.5 -36.22 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 110.944 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -39.52 72.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.186 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.76 -32.22 73.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -68.24 -33.17 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -65.19 -40.76 94.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.51 -44.6 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 121.188 0.518 . . . . 0.0 109.8 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.8 mm -52.43 -52.61 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 121.835 0.826 . . . . 0.0 110.353 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.7 t -56.48 -26.94 55.69 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.325 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.419 ' NH1' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -75.77 -34.08 60.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 33.9 m-85 -76.49 -29.93 57.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.487 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -75.95 -31.14 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.828 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.68 -36.69 74.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.22 -33.28 73.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.819 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.0 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.83 161.13 31.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.898 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.489 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -71.32 137.6 48.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.084 0.469 . . . . 0.0 111.426 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.84 145.69 24.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.611 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 9' ' ' PHE . 32.0 mt -96.36 143.27 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.097 0.475 . . . . 0.0 111.309 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.0 t80 -144.41 106.34 4.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.017 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 56.8 mm-40 78.21 49.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.388 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp 62.3 13.13 5.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 85.9 t -123.75 138.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -101.94 145.28 29.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.46 0.647 . . . . 0.0 111.879 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.21 -179.88 39.89 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.134 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -94.79 129.13 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.383 0.611 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.443 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.47 121.26 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.822 -179.106 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.31 143.33 45.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 mt -104.99 117.85 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.702 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -103.48 109.51 21.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -107.06 -8.65 16.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.984 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -58.66 -20.38 47.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -98.01 -162.14 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.437 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -166.87 113.68 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.25 153.18 96.36 Favored 'Cis proline' 0 C--N 1.346 0.429 0 C-N-CA 123.428 -1.488 . . . . 0.0 112.37 0.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . -54.27 172.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.658 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.17 161.1 39.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.121 0.486 . . . . 0.0 111.743 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' CD1' HG21 ' A' ' 16' ' ' ILE . 17.9 tp -122.78 106.83 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.149 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.21 146.4 24.79 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.138 0.494 . . . . 0.0 111.939 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.3 t90 -134.13 109.98 9.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.329 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.403 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 72.3 ttt-85 -103.88 126.79 51.26 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -60.94 160.59 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.974 0.416 . . . . 0.0 111.001 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -31.98 71.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.501 0.667 . . . . 0.0 109.958 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -71.5 -33.19 69.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.013 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.53 25.36 47.23 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.004 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -112.37 -18.02 12.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -128.1 130.03 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.405 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.5 t -127.57 121.75 57.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.017 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.1 t60 -108.84 142.18 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.241 0.543 . . . . 0.0 111.233 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.453 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 20.2 m -119.84 132.54 55.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.772 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.57 145.27 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.37 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.0 t -91.56 121.13 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.5 mt -83.88 -11.69 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.685 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -77.48 -27.95 52.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -80.21 -22.92 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.047 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.8 mm -62.03 93.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -62.6 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -157.76 163.82 37.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.898 0.38 . . . . 0.0 111.117 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 108' ' ' ILE . 2.1 mp -119.56 121.77 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.733 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -115.11 145.47 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.52 158.05 44.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -70.37 142.69 89.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.69 162.94 40.77 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.559 2.173 . . . . 0.0 112.423 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.92 -12.34 61.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.533 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.72 -0.3 57.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.726 0.298 . . . . 0.0 111.378 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.03 115.37 30.06 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -57.92 -19.21 28.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.7 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -90.6 112.57 24.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -93.04 109.57 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 61.3 mtt -144.46 150.45 37.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.2 128.93 56.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.723 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -114.72 136.8 52.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mp -123.1 129.19 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.47 128.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.096 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.439 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.353 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -116.57 124.69 50.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.8 mtt -95.22 111.07 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -104.2 147.2 27.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.4 t -121.05 135.28 55.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.295 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.0 m-85 -112.03 153.86 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.994 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.16 7.98 25.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.096 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -152.88 123.24 7.15 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 97' ' ' MET . 24.3 ttm105 -59.51 -39.85 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -43.54 92.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.121 0.486 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.3 t -69.97 -33.13 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.624 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.58 -31.18 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.57 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 97' ' ' MET . 52.3 t0 -78.47 -27.66 46.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.34 -31.57 62.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.5 mm -84.29 -43.51 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.785 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.407 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 27.0 ttpp -60.76 -31.67 71.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.4 tpp -80.06 -46.28 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.231 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -63.51 -41.36 98.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.536 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.4 ' CB ' ' CD2' ' A' ' 48' ' ' LEU . 77.5 mt -66.27 -32.88 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -67.71 -32.03 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.86 -41.53 95.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.152 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 34.7 mt -56.61 -45.68 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.401 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 6.4 mm -51.24 -52.81 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.831 0.824 . . . . 0.0 110.338 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -30.98 66.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.013 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -73.94 -33.12 63.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -74.75 -28.81 60.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -74.52 -38.67 62.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.674 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.01 -37.46 76.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.43 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo . . . . . 0 N--CA 1.476 0.496 0 CA-C-O 120.859 0.275 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -76.59 -33.78 58.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -78.09 -22.53 48.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.355 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.4 p -122.42 128.55 51.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.073 0.464 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.51 156.69 27.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.827 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -70.02 138.88 52.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 111.269 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.34 146.72 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.927 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 9' ' ' PHE . 31.0 mt -96.56 143.29 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.119 0.485 . . . . 0.0 111.343 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.526 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -144.43 106.32 4.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.939 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 78.08 49.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt 62.38 12.88 5.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 84.0 t -123.93 137.87 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 t -102.09 144.29 30.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.454 0.645 . . . . 0.0 111.851 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.66 -179.97 39.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.311 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.33 128.4 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.157 0.503 . . . . 0.0 111.113 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.402 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.2 OUTLIER -101.55 121.8 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.852 -179.2 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.55 143.59 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -100.77 114.91 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.7 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -99.99 109.61 21.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 1.1 pp20? -112.59 -6.51 13.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.948 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.73 -19.67 59.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.3 -162.07 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.455 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 16.8 p -165.82 113.41 0.78 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.44 151.73 97.4 Favored 'Cis proline' 0 C--N 1.347 0.472 0 C-N-CA 123.503 -1.457 . . . . 0.0 112.461 0.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.32 172.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.701 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -155.7 149.37 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.5 tp -100.47 117.42 34.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.482 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 145.49 24.43 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.981 0.419 . . . . 0.0 111.549 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.27 111.49 10.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 50.3 mtp180 -105.62 128.25 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.43 161.78 8.91 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -32.72 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.372 0.606 . . . . 0.0 109.962 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -73.35 -32.81 64.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.992 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 25.44 48.12 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.046 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -109.95 -19.97 12.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.252 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.59 126.27 43.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -123.83 122.69 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.211 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' TRP . 5.8 t60 -108.91 142.14 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.5 m -122.46 134.71 54.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.761 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.78 146.1 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.384 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 t -92.44 122.42 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.8 mt -85.7 -11.84 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.511 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 7.6 t -80.03 -25.44 40.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.0 110.748 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 t -93.57 15.98 14.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.8 mm -98.84 95.42 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -59.52 -31.33 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.696 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -163.43 171.0 16.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -127.32 115.3 18.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.718 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -103.06 146.63 28.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.95 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.8 p -70.55 148.92 95.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.45 161.74 44.69 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.622 2.215 . . . . 0.0 112.384 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.8 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.516 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m -89.63 0.19 57.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.3 m -106.97 113.29 26.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.653 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.01 -18.79 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -89.01 115.96 26.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.77 115.74 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 70.5 mtp -151.01 133.15 15.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.019 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 HD12 ' CE1' ' A' ' 91' ' ' PHE . 0.7 OUTLIER -115.39 119.85 37.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.722 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -105.27 138.11 41.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mp -117.29 127.52 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.1 mm -81.6 119.12 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.58 49.58 3.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.593 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mttt 50.09 -176.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 111.218 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.9 t -107.87 -67.87 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -78.98 127.8 32.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -147.82 38.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.986 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.5 m -72.48 -26.49 61.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -89.45 -29.14 19.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.002 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -82.78 141.9 31.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.5 mtp-105 -61.01 131.91 52.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -78.4 145.96 34.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 48.5 t0 -62.65 -24.89 67.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 74' ' ' ASP . 14.3 m120 72.67 1.56 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.798 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -98.23 64.91 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.6 9.23 53.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.825 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -95.6 132.88 40.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.735 0.302 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -111.32 171.27 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.2 t -58.97 -35.74 58.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.69 108.83 1.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.182 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.74 118.89 5.19 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.429 2.086 . . . . 0.0 112.375 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -150.93 147.41 20.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.33 131.92 18.47 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.541 2.16 . . . . 0.0 112.383 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -110.16 126.19 53.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.766 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -119.32 139.33 52.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.063 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -110.75 109.48 19.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.2 ttp -97.01 124.0 40.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -111.12 153.82 25.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.83 119.58 35.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.351 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.43 ' CE1' HD12 ' A' ' 60' ' ' LEU . 27.8 m-85 -98.81 135.09 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -97.96 12.17 35.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.266 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.401 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . 3.6 m120 -151.44 122.73 7.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.551 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 59.6 ttm-85 -61.06 -45.46 94.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.645 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -34.78 78.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 121.164 0.507 . . . . 0.0 110.742 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.401 ' CG2' ' CB ' ' A' ' 93' ' ' ASN . 92.3 t -70.61 -38.33 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.551 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 20.4 ptm -72.97 -33.22 65.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.362 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.21 -29.73 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -72.16 -32.63 67.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.65 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.4 mm -86.14 -43.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -53.5 -51.27 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.354 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtt -67.11 -33.51 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.226 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -38.44 66.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 69.0 mt -67.77 -32.81 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.402 ' HA ' HG12 ' A' ' 108' ' ' ILE . 89.3 mt-30 -66.95 -32.97 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -65.1 -41.88 94.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 85.4 mt -57.51 -43.08 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.0 mm -53.01 -52.5 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.822 0.82 . . . . 0.0 110.341 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 m -55.58 -31.18 61.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.17 -1.377 . . . . 0.0 111.175 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -71.58 -32.68 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 24.0 m-85 -71.61 -28.54 63.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.677 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -70.17 -33.91 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.79 -37.67 79.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.29 72.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.865 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.476 0.448 0 CA-C-O 120.805 0.252 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -159.98 -45.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -59.05 -25.37 63.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.6 p -117.12 127.52 54.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.07 147.58 16.79 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.937 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.63 138.52 58.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 111.371 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB1' ' CD1' ' A' ' 16' ' ' ILE . . . -155.43 148.03 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 9' ' ' PHE . 29.7 mt -96.5 143.18 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.143 0.496 . . . . 0.0 111.409 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.512 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.1 t80 -144.66 106.34 4.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.934 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.2 mt-10 78.01 49.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.21 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt 62.55 12.8 5.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 86.1 t -124.12 138.68 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.0 t -101.53 144.81 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 0.0 111.911 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.05 -179.98 39.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.37 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.63 126.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.209 0.528 . . . . 0.0 111.234 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.451 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.61 119.72 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.586 -179.594 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.59 142.52 46.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.42 108.59 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.65 109.75 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.97 -14.9 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.09 -24.66 10.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.927 0.394 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.94 154.06 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.835 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.65 107.79 7.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.97 150.09 87.61 Favored 'Cis proline' 0 C--N 1.347 0.487 0 C-N-CA 123.561 -1.433 . . . . 0.0 112.36 0.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 172.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -156.17 155.78 33.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.894 0.378 . . . . 0.0 111.346 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -113.35 116.93 30.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.511 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.29 147.32 25.58 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 121.104 0.478 . . . . 0.0 111.948 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.512 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.4 t90 -132.69 110.57 10.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.573 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 81.8 mtm180 -104.74 127.15 52.42 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -61.43 160.13 11.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.77 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -32.39 70.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.492 0.663 . . . . 0.0 110.116 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -72.22 -32.73 67.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.082 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.48 24.64 50.03 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.983 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.32 -19.74 12.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -124.92 126.32 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.731 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.93 120.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.1 t60 -108.83 142.26 39.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.372 0.606 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.441 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.6 m -114.94 130.28 56.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.564 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.03 136.26 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.9 t -92.23 125.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.406 ' CD1' ' CD1' ' A' ' 107' ' ' ILE . 11.4 mt -88.04 -11.7 46.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.794 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.3 t -79.21 -29.33 42.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.842 0.354 . . . . 0.0 110.627 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -81.7 -20.41 39.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.0 mm -66.43 97.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.9 -28.82 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.31 169.2 19.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -142.49 135.09 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -130.79 162.71 28.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' CB ' ' CE ' ' A' ' 101' ' ' LYS . . . -141.51 162.33 35.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 p -70.46 147.55 94.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.04 160.2 48.4 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.507 2.138 . . . . 0.0 112.422 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.66 -11.48 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -89.8 -1.09 57.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.378 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -105.11 113.92 27.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.6 -18.7 32.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.752 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -92.53 125.74 37.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -94.86 121.0 36.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.2 ttm -151.12 127.93 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.18 118.58 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.688 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -102.93 139.96 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -125.01 125.04 43.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.8 mp -98.28 135.76 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.44 -175.22 50.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.548 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -119.65 -177.15 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.6 t -114.75 139.45 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -72.97 63.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -155.57 43.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.4 p -59.0 -24.76 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.08 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.24 -35.31 76.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -108.7 140.73 41.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -113.93 125.86 54.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -73.77 164.5 26.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -110.44 -177.21 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -120.31 0.77 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.43 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -85.23 56.68 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.971 0.415 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.15 16.04 63.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.718 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 125.99 30.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.785 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -100.35 160.0 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.977 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.09 134.22 61.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.7 m -89.67 159.26 43.97 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.11 137.02 54.27 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.521 2.147 . . . . 0.0 112.262 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 84' ' ' PRO . 1.6 mmtp 179.86 -61.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 83' ' ' LYS . 44.2 Cg_endo -68.33 137.84 41.08 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.476 2.118 . . . . 0.0 112.431 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -100.02 149.84 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.757 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -114.84 134.88 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.87 115.75 26.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.8 mtm -101.37 113.08 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -103.09 142.68 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.66 125.72 54.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.433 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 32.8 m-85 -104.1 139.77 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.106 0.479 . . . . 0.0 111.873 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -99.68 9.39 43.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.305 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -152.43 125.82 8.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 97' ' ' MET . 4.6 tmm_? -60.7 -42.63 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -42.08 96.56 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.39 -32.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.718 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.446 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -76.97 -31.64 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 97' ' ' MET . 89.3 m-20 -81.7 -26.81 34.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.56 -30.95 61.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.03 -41.47 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' CE ' ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -51.36 -42.4 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.469 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -68.64 -46.16 69.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 111.468 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -43.58 93.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.37 -37.4 87.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.401 ' HA ' HG12 ' A' ' 108' ' ' ILE . 91.4 mt-30 -67.78 -33.32 74.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.78 -39.89 87.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.406 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 80.3 mt -59.14 -42.95 88.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.117 0.484 . . . . 0.0 109.866 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 105' ' ' GLN . 4.8 mm -52.5 -52.55 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.756 0.789 . . . . 0.0 110.216 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.6 m -55.12 -31.26 61.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -72.28 -32.74 66.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.69 -32.53 63.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.582 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -73.59 -34.94 65.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.84 -39.37 88.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.61 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.899 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.476 0.476 0 CA-C-O 120.788 0.245 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -120.89 149.01 43.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.6 m80 60.75 27.41 17.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 p -179.9 121.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.64 154.16 25.21 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.86 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.86 138.37 57.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.377 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.17 148.34 26.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.736 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 9' ' ' PHE . 29.2 mt -96.53 143.18 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 111.377 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -145.3 106.32 4.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.939 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.89 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.275 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp 62.01 14.06 6.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 93.7 t -125.3 140.0 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -102.74 146.38 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.596 . . . . 0.0 111.841 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.02 -179.95 40.37 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.405 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.01 127.54 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.3 0.571 . . . . 0.0 111.159 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.454 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.68 119.16 49.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.608 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.39 143.58 44.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.81 114.31 37.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.912 0.387 . . . . 0.0 110.673 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -103.72 109.73 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 96.0 mt-10 -109.56 -6.81 15.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.05 -20.17 56.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.62 -162.05 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.453 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 16.4 p -166.5 113.38 0.72 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.19 152.18 96.86 Favored 'Cis proline' 0 C--N 1.347 0.451 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.39 0.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -54.15 156.45 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.63 150.2 43.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 9.9 tt -107.32 116.78 32.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.484 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.04 147.29 25.76 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.835 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -133.1 110.28 10.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.547 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.5 ttt85 -104.75 126.79 52.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 t -60.26 160.25 8.71 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.808 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 -32.01 70.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.378 0.609 . . . . 0.0 110.022 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -70.69 -33.03 70.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.97 48.16 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.997 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.58 -19.74 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.728 0.299 . . . . 0.0 111.335 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -124.67 126.76 46.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.742 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.58 121.77 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.061 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.6 t60 -108.92 142.24 39.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.451 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.1 m -114.27 131.39 56.52 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.657 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.408 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 32.8 t -110.64 138.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 t -92.64 111.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 107' ' ' ILE . 23.8 mt -71.27 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.617 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -76.94 -29.31 55.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -78.61 -25.06 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.9 mm -70.73 102.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -87.27 -23.64 24.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -148.86 162.59 39.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 pp -134.09 115.61 14.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -113.13 124.62 53.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -115.48 162.34 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -70.35 149.65 95.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.49 152.63 80.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.648 2.232 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -16.3 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.531 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.5 m -89.75 -0.3 57.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.316 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -107.0 113.41 26.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.366 . . . . 0.0 110.731 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.8 -18.83 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -76.54 115.01 15.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -94.01 106.1 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.6 mtt -151.11 138.7 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.9 tp -115.39 127.91 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.778 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.34 133.8 52.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mp -120.38 129.96 54.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.7 mm -101.39 138.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.198 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.88 -175.44 41.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -73.61 -175.69 2.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.833 0.349 . . . . 0.0 111.055 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.72 134.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 44.1 p30 -75.38 172.37 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -116.8 39.77 3.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.4 m -56.75 -24.19 48.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.025 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -58.71 -34.88 71.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -97.34 146.98 24.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -108.0 124.2 49.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -95.37 160.32 14.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.39 -26.62 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 t30 75.83 1.22 3.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.685 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -82.41 59.73 4.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.914 0.388 . . . . 0.0 110.765 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.93 11.02 68.45 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.694 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -73.23 144.03 46.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -100.45 145.41 28.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.2 m -126.77 153.2 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 m -73.37 138.51 78.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.076 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.76 152.09 29.67 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.522 2.148 . . . . 0.0 112.251 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -60.32 160.55 17.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.44 93.24 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.52 2.147 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -96.73 135.41 38.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.81 143.22 43.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -114.69 111.95 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.7 mtm -91.88 118.01 30.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -112.82 156.96 21.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.66 119.97 28.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.485 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.432 ' CG ' ' HB3' ' A' ' 97' ' ' MET . 27.4 m-85 -98.32 138.54 35.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.059 0.457 . . . . 0.0 111.792 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -100.11 12.77 36.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.387 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.402 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . 19.5 m-80 -152.92 128.23 9.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.354 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.53 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 62.0 ttp180 -63.2 -45.2 92.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -34.75 78.63 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.136 0.493 . . . . 0.0 110.731 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.402 ' CG2' ' CB ' ' A' ' 93' ' ' ASN . 86.4 t -70.58 -38.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.859 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.53 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 23.1 ptm -73.65 -34.16 64.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.404 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -76.0 -29.46 58.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -71.95 -33.5 68.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.698 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.4 mm -86.23 -43.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 23.8 ttpp -53.6 -35.19 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.297 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.0 -49.84 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.04 0.448 . . . . 0.0 111.156 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -38.25 87.12 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.665 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.09 -35.77 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.585 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.401 ' HA ' HG12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -68.84 -33.96 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 110.577 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.3 -39.53 89.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.129 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 76.3 mt -58.45 -44.39 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.788 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 105' ' ' GLN . 4.8 mm -52.0 -52.46 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-O 121.82 0.819 . . . . 0.0 110.297 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.1 m -53.74 -29.59 40.32 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.24 -1.345 . . . . 0.0 111.271 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -71.77 -34.88 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 53.1 m-85 -71.83 -31.25 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.726 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -73.85 -39.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.762 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.12 -37.32 76.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.95 -32.71 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.802 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.476 0.494 0 CA-C-O 120.838 0.266 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -96.89 23.95 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -93.56 161.37 14.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 p 58.14 170.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.22 142.85 3.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.073 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.33 138.76 58.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.995 0.426 . . . . 0.0 111.415 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . . . -155.42 146.84 22.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.692 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 9' ' ' PHE . 31.5 mt -96.56 143.1 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.08 0.467 . . . . 0.0 111.203 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.2 t80 -144.39 106.25 4.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.945 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.18 49.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 62.15 12.86 5.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 94.7 t -123.7 137.71 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -101.79 143.97 31.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.846 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.73 -179.92 39.06 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.302 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.85 127.58 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.464 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.69 117.87 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.536 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.42 142.7 41.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mt -107.18 117.02 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -110.35 109.63 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -108.76 -1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.871 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.27 -19.48 65.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.268 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG11 ' HA ' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -94.26 -162.05 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.855 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.45 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.48 112.86 0.81 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.17 150.54 95.72 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.759 -1.35 . . . . 0.0 112.402 0.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HA ' HG11 ' A' ' 22' ' ' VAL . . . -54.26 170.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.622 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.75 160.89 39.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.932 0.396 . . . . 0.0 111.489 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 tt -119.88 113.91 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.408 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.12 147.27 25.71 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.824 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.0 t90 -132.12 109.96 10.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.6 mtm105 -104.92 127.56 52.81 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.1 p -60.54 161.44 7.6 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.735 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.19 -32.55 71.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.384 0.611 . . . . 0.0 109.992 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -73.55 -32.69 64.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.5 25.47 46.9 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.056 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -109.43 -20.98 12.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -125.67 126.91 45.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.0 t -124.85 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.7 t60 -108.9 142.29 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.222 0.534 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.425 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.6 m -115.28 132.3 56.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.853 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -114.82 139.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.235 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.0 t -92.45 123.99 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.01 -11.66 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.643 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 78.7 p -79.24 -28.67 42.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -82.47 -20.57 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.6 mm -64.81 94.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -63.36 -29.84 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.69 166.1 29.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -131.36 128.38 39.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -125.28 152.18 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -140.0 164.62 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.064 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.1 p -70.35 146.52 94.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 159.08 54.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.547 2.165 . . . . 0.0 112.441 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.0 -17.46 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.412 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.15 57.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.382 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -107.02 112.61 25.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.0 110.616 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -56.86 -19.29 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.828 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -85.89 91.57 8.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 ptp -78.98 104.56 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.778 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 56.3 mtt -145.44 143.07 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 tp -115.35 124.4 51.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -112.71 136.69 52.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 mp -118.24 128.68 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.78 133.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.61 73.71 0.25 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.2 mttt 55.3 166.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.945 0.402 . . . . 0.0 111.475 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.78 137.55 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.023 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -78.75 99.08 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -115.6 38.89 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.5 m -92.09 13.95 17.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.278 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -99.19 -40.93 7.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp 57.98 104.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 62.81 129.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -97.42 145.89 25.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 92.8 m-20 -62.8 -27.52 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 74' ' ' ASP . 65.9 m-20 72.09 1.08 3.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.814 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -84.45 57.68 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.59 -24.49 29.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.641 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.5 p30 -98.81 29.64 3.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.5 -38.13 80.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.17 138.16 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.0 m -159.46 147.53 13.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 150.33 66.48 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.522 2.148 . . . . 0.0 112.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 6.2 mttt 179.38 -54.57 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.018 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' CB ' ' A' ' 83' ' ' LYS . 50.3 Cg_exo -53.48 135.61 61.59 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.412 2.075 . . . . 0.0 112.29 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -98.18 118.16 34.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -131.63 136.14 47.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -105.64 111.76 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -97.78 112.71 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -106.89 150.37 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.9 t -120.89 125.94 48.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.8 m-85 -99.71 137.27 38.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 111.804 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.84 6.52 48.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.369 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -150.49 123.07 8.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -62.66 -30.87 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.92 -46.67 51.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.166 0.508 . . . . 0.0 110.11 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.88 -29.71 45.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.689 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.22 -32.31 61.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.583 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.1 t0 -74.65 -28.99 61.09 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -72.4 -30.39 64.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.3 mm -86.08 -43.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.072 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 24.0 ttpp -58.42 -34.99 71.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.6 mtm -82.1 -43.7 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.953 0.406 . . . . 0.0 111.38 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -65.49 -39.98 92.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.3 mt -66.39 -31.99 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -32.79 74.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.87 -42.13 95.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.304 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.23 -43.36 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.897 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.6 mm -52.62 -52.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 CA-C-O 121.732 0.777 . . . . 0.0 110.125 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -56.24 -31.33 63.44 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.328 -1.306 . . . . 0.0 111.131 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.69 -32.64 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 17.5 m-85 -73.94 -28.63 61.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -32.02 65.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.708 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.08 -37.31 76.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.01 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.924 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.476 0.447 0 CA-C-O 120.859 0.274 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 59.01 167.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.7 m80 62.9 128.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 m 62.98 127.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.39 164.8 36.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.678 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -68.47 137.87 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.089 0.471 . . . . 0.0 111.305 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.32 147.31 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.736 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.476 HG21 ' N ' ' A' ' 9' ' ' PHE . 29.6 mt -96.5 143.08 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 111.432 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.6 t80 -144.46 106.34 4.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.908 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.04 49.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 62.36 12.97 5.64 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 87.1 t -124.13 138.31 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -101.89 144.99 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.374 0.607 . . . . 0.0 111.895 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.01 -179.94 39.82 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.288 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.25 127.69 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.573 . . . . 0.0 111.161 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.459 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.51 116.24 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.297 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.42 142.98 39.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -103.55 113.64 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -103.82 109.73 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.5 -5.36 15.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.906 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.48 -19.88 64.0 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.351 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.56 -161.97 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 110.71 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.455 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.77 113.11 0.69 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.4 ' CB ' ' HB3' ' A' ' 43' ' ' SER . 8.3 Cg_exo -72.3 151.66 96.46 Favored 'Cis proline' 0 C--N 1.347 0.45 0 C-N-CA 123.779 -1.342 . . . . 0.0 112.319 -0.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.454 ' HA ' HG11 ' A' ' 22' ' ' VAL . . . -54.38 169.88 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.662 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -154.54 152.85 30.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 111.359 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tt -111.51 114.25 27.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.596 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.39 147.29 25.51 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.764 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -131.48 109.95 10.65 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.46 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -104.1 127.84 51.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.6 p -62.44 160.2 14.03 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.745 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -31.96 71.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.414 0.626 . . . . 0.0 110.079 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -71.37 -32.35 68.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.1 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.87 24.29 49.67 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.077 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.92 -20.11 11.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.722 0.296 . . . . 0.0 111.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 126.29 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -126.61 119.01 52.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' TRP . 8.2 t60 -109.08 142.34 39.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.229 0.538 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.423 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 8.3 m -114.86 130.75 56.94 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.761 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -114.4 141.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.363 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.0 t -92.62 122.84 44.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.2 mt -88.15 -11.69 46.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.591 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.4 ' HB3' ' CB ' ' A' ' 24' ' ' PRO . 60.6 p -80.24 -28.84 38.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.801 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 t -81.45 -21.77 38.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mm -62.39 94.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.26 -29.7 70.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.022 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -157.79 169.68 24.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.61 128.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -125.63 152.62 44.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.55 164.48 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.56 151.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.79 155.58 69.34 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.41 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -12.76 61.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.522 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 m -89.84 0.42 57.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.285 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -107.14 114.18 28.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.926 0.394 . . . . 0.0 110.627 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.84 -18.98 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.97 115.65 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.811 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -87.82 124.85 34.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 71.4 mtp -151.02 140.3 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 tp -115.35 125.84 53.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.793 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -109.08 129.76 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mp -117.89 130.55 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.48 132.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.2 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.2 -173.76 49.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -69.12 166.62 17.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -127.15 -67.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.197 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -86.56 116.99 25.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.95 39.29 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.6 p -67.06 -22.17 65.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -59.13 -35.12 72.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -85.31 140.53 30.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -78.56 129.11 34.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -78.88 146.14 33.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.87 -28.28 67.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t30 75.68 1.05 3.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.705 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -96.16 39.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.85 36.14 91.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -97.26 24.59 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.642 0.258 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -115.41 133.47 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 p -178.26 44.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.5 m -127.22 78.04 74.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.46 -27.25 46.91 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.559 2.173 . . . . 0.0 112.296 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -130.91 156.48 79.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.03 155.1 69.4 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.512 2.142 . . . . 0.0 112.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -99.92 127.69 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.67 143.82 50.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -105.32 116.43 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -92.8 120.02 32.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 78.5 m-85 -113.86 159.06 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.47 121.04 31.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.7 m-85 -100.97 143.41 31.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 111.712 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.63 9.24 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.496 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -156.86 130.65 8.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 111.36 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -60.72 -40.6 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.673 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.079 0.466 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.9 t -72.41 -33.6 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.613 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.441 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -78.52 -30.6 47.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.541 179.641 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -84.31 -25.64 29.11 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.01 -32.45 63.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.7 mm -84.27 -43.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.761 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.407 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 18.7 ttpp -59.15 -32.81 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.3 tpp -77.89 -48.07 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 t -63.79 -39.91 95.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.316 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.5 -32.72 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.421 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -66.4 -33.47 75.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.43 -41.55 96.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 79.4 mt -57.15 -43.9 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.827 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 7.0 mm -52.29 -52.27 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.758 0.79 . . . . 0.0 110.196 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -53.93 -30.02 44.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.253 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -36.59 69.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -74.54 -30.47 61.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -76.18 -31.2 58.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.97 -37.25 76.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.77 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 53.5 t0 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 N--CA 1.476 0.484 0 CA-C-O 120.836 0.265 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -160.93 -45.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -103.28 161.37 13.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 p 57.65 172.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.14 150.26 5.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.054 -0.594 . . . . 0.0 111.985 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.27 139.8 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.937 0.399 . . . . 0.0 111.305 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.77 148.11 20.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.806 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 9' ' ' PHE . 29.2 mt -96.49 143.31 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.084 0.468 . . . . 0.0 111.338 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.71 106.36 4.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.018 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 77.87 49.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.255 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt 62.02 14.17 6.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.444 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 93.1 t -125.33 139.98 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.2 m -102.28 147.71 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.393 0.616 . . . . 0.0 111.84 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -168.52 -179.85 41.07 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.69 128.0 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.291 0.567 . . . . 0.0 111.156 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.455 HG21 ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.52 120.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.634 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.5 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 mt -105.87 108.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -98.34 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -90.81 -16.32 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -53.03 -24.32 9.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.596 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.57 154.03 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.874 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.33 107.49 7.27 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 16.7 Cg_exo -67.66 150.11 83.69 Favored 'Cis proline' 0 C--N 1.347 0.463 0 C-N-CA 123.582 -1.424 . . . . 0.0 112.468 0.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.46 172.18 0.1 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.994 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.85 161.11 42.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.747 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD1' HG21 ' A' ' 16' ' ' ILE . 19.2 tp -116.99 115.05 24.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.379 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 146.97 23.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.101 0.477 . . . . 0.0 111.999 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -134.15 110.0 9.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.466 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.6 ttt85 -103.18 126.54 50.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -60.54 161.49 7.54 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.004 0.43 . . . . 0.0 110.783 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -32.16 71.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.988 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.37 -33.26 71.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.01 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.34 25.41 47.78 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.009 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -114.1 -19.02 11.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.714 0.292 . . . . 0.0 111.424 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -126.0 127.51 46.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.65 122.2 61.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.9 t60 -108.79 142.27 39.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.458 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 17.3 m -118.4 133.57 55.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.659 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 t -117.84 143.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.3 t -90.49 124.1 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 ' CD1' ' CD1' ' A' ' 107' ' ' ILE . 20.2 mt -88.04 -11.73 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.661 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 6.2 t -79.97 -30.18 39.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.77 0.319 . . . . 0.0 110.739 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -79.46 -24.01 42.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.7 mm -59.84 93.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.74 -30.9 69.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -160.27 166.65 29.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mp -117.37 134.89 54.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -127.95 143.89 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.53 156.28 45.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 p -73.12 153.27 90.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.36 157.36 62.16 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.5 -11.77 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.577 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -89.74 -0.03 57.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.363 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 61.8 m -107.07 113.91 27.65 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.876 0.37 . . . . 0.0 110.658 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.04 -18.86 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 100.46 13.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtm -78.69 120.57 23.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 76.9 mtp -151.04 136.68 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.4 tp -115.29 117.34 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -103.91 131.55 51.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.035 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mp -116.3 129.44 56.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.84 129.76 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.86 171.49 46.91 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.337 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -99.2 -178.56 3.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.765 0.317 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 p -98.22 130.82 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.206 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -135.87 131.91 35.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -109.57 36.28 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m -87.64 -22.97 24.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -60.03 -34.82 73.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.7 tptm 59.56 102.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -59.92 131.8 51.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -99.66 170.66 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -81.17 -20.59 40.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -80.5 -0.91 39.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.448 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -98.93 32.5 2.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 110.988 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.87 16.16 7.41 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.987 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.99 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 0.0 111.468 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 58.82 50.46 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.008 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -126.51 153.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.3 m -141.86 150.27 55.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.26 147.11 65.36 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.578 2.185 . . . . 0.0 112.292 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.88 138.06 12.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.33 139.41 49.71 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.383 2.055 . . . . 0.0 112.289 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -98.02 137.0 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -116.75 137.27 52.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.059 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -115.9 121.21 41.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -103.25 122.73 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -114.4 157.44 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.16 121.05 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.9 m-85 -99.66 140.65 33.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 0.0 111.853 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -101.97 12.5 36.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.24 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -153.43 131.38 11.74 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.931 0.396 . . . . 0.0 111.277 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.562 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 87.5 mtt180 -65.96 -48.29 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -34.66 78.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 110.715 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.0 t -70.46 -38.64 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.955 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.562 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 16.8 ptm -73.16 -32.76 65.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.507 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -74.89 -29.41 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.85 -33.16 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.0 mm -86.17 -43.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.967 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -59.4 -33.42 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -79.67 -42.99 23.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.411 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -66.19 -38.62 88.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.3 mt -67.05 -34.42 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -66.91 -32.54 73.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.52 -40.69 93.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.404 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 55.5 mt -58.17 -43.36 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.173 0.511 . . . . 0.0 109.819 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.8 mm -52.54 -52.24 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.848 0.832 . . . . 0.0 110.215 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.7 m -53.39 -30.02 37.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.243 -1.344 . . . . 0.0 111.277 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -71.29 -33.92 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -74.62 -31.87 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.69 -31.78 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.833 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.69 -38.09 80.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.15 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.949 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo . . . . . 0 N--CA 1.477 0.519 0 CA-C-O 120.814 0.256 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -122.0 150.32 42.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.5 m80 60.73 27.36 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.9 p -179.14 118.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.81 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.95 155.45 26.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.899 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 138.22 56.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.45 . . . . 0.0 111.393 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.05 147.42 25.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.673 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 9' ' ' PHE . 31.3 mt -96.43 143.19 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.117 0.484 . . . . 0.0 111.319 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.36 106.34 4.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.4 mt-10 77.96 49.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.295 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 62.18 13.81 6.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 89.0 t -124.71 139.6 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -102.83 145.77 29.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.43 0.633 . . . . 0.0 111.792 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.34 -179.93 39.99 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.528 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.68 126.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 111.045 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.6 119.07 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.679 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.5 143.33 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -102.77 118.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.741 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -108.25 109.67 21.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -110.6 -5.98 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -61.53 -19.65 62.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -96.71 -161.9 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 120.808 0.337 . . . . 0.0 110.817 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.437 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 17.0 p -166.2 113.14 0.74 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.15 151.37 96.99 Favored 'Cis proline' 0 C--N 1.347 0.486 0 C-N-CA 123.494 -1.461 . . . . 0.0 112.53 0.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -54.39 170.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.637 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -156.85 146.64 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.508 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tt -106.97 114.12 28.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.399 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.25 25.84 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.026 0.441 . . . . 0.0 111.797 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.2 t90 -131.89 109.99 10.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.416 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 60.7 ttp180 -104.38 127.08 51.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.0 p -60.46 160.74 8.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.987 0.422 . . . . 0.0 110.902 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.0 -31.87 71.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.415 0.626 . . . . 0.0 110.035 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.52 -33.15 70.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.66 25.16 47.47 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.127 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -113.1 -19.86 11.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.704 0.288 . . . . 0.0 111.224 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -124.75 132.64 53.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.8 t -130.8 121.75 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.8 t60 -108.87 142.42 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.43 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 6.6 m -114.45 136.17 53.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.5 t -119.7 141.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.217 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 t -91.64 122.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 mt -88.14 -11.87 45.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.692 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 72.3 p -80.61 -29.0 36.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -80.58 -23.57 39.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.6 mm -58.76 92.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.0 -32.43 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -161.36 171.11 18.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.7 138.19 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -128.5 109.58 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.66 152.48 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.4 p -70.66 146.79 94.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.54 158.38 53.92 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.559 2.172 . . . . 0.0 112.447 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -13.99 62.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.454 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 t -89.78 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.344 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -106.85 112.9 26.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.825 0.345 . . . . 0.0 110.723 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.21 -19.19 19.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -89.82 97.54 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ptp -81.58 112.41 18.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.8 mtt -146.56 144.24 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.32 121.96 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -113.79 134.53 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 mp -125.01 128.41 48.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.52 134.72 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.42 165.53 30.03 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.576 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -76.72 -176.66 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.945 0.402 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.3 t -99.4 129.37 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.051 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.25 135.49 47.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -141.45 38.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -98.52 -25.13 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -93.64 -26.46 17.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt 62.0 41.91 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -68.43 136.2 52.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -133.14 156.61 47.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -115.7 151.37 35.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -88.98 0.04 56.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.412 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -95.69 38.22 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.373 . . . . 0.0 111.098 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.31 36.34 57.35 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.696 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -86.43 91.36 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -101.12 28.41 5.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.6 m -129.41 159.35 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 m -64.17 145.06 98.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.62 -70.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.591 2.194 . . . . 0.0 112.363 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.54 95.88 0.21 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.79 149.96 13.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.475 2.117 . . . . 0.0 112.307 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -96.03 139.15 32.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -133.0 147.92 52.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -106.5 120.94 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.3 ttp -99.95 118.74 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.747 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.64 155.32 22.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 m -124.23 123.04 39.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.393 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.2 m-85 -99.03 146.01 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 111.639 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -102.8 10.41 38.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -157.67 129.58 7.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 111.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 97' ' ' MET . 92.1 mtm-85 -61.46 -40.08 93.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.761 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -44.06 91.8 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.154 0.502 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.9 t -69.96 -33.32 54.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.637 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.444 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -76.68 -31.06 57.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.508 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 97' ' ' MET . 23.0 t70 -80.63 -26.69 37.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -73.53 -28.98 62.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.0 mm -86.05 -41.64 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.179 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -56.53 -33.59 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.2 mmm -81.98 -47.84 12.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.517 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 t -61.11 -44.71 96.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.658 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.5 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.404 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -34.41 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.691 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -63.96 -41.82 97.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.363 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 79.7 mt -57.17 -43.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.8 mm -53.13 -52.48 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.809 0.814 . . . . 0.0 110.289 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -55.24 -31.13 61.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.201 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -71.43 -33.13 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 29.0 m-85 -71.31 -28.91 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.648 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.49 -39.64 74.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.725 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.18 -37.33 77.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.77 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.938 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 N--CA 1.475 0.407 0 CA-C-O 120.911 0.296 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -166.89 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -111.9 149.89 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.5 p 61.08 118.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.075 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.65 148.49 17.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.975 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.79 139.13 58.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 0.0 111.302 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.405 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . . . -157.36 147.41 20.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.892 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.479 HG21 ' N ' ' A' ' 9' ' ' PHE . 31.1 mt -96.49 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.06 0.457 . . . . 0.0 111.237 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.525 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.0 t80 -144.37 106.35 4.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.055 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.5 mt-10 78.09 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.216 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? 62.39 12.91 5.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 95.9 t -123.73 137.84 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -101.62 143.59 31.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 0.0 111.786 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.58 -179.94 38.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.339 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.63 127.41 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 0.0 111.243 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.466 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.46 117.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.387 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.78 142.57 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mt -108.09 108.8 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.67 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -108.56 109.81 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -92.59 -15.21 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.19 -23.53 14.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.81 0.338 . . . . 0.0 110.702 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.39 154.39 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.0 107.79 8.9 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.742 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.33 148.64 90.44 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.543 -1.44 . . . . 0.0 112.443 0.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.51 168.46 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.2 154.04 28.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tt -109.93 118.2 35.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.25 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.46 147.17 25.52 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.005 0.431 . . . . 0.0 111.951 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -132.5 109.99 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.386 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.402 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 86.8 mtm-85 -104.28 127.6 51.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.071 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.08 159.8 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.73 -32.31 70.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.439 0.638 . . . . 0.0 110.026 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -72.69 -32.63 65.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.8 25.22 46.61 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -111.43 -21.02 12.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -123.26 126.26 46.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.698 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.6 t -124.93 120.64 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.9 t60 -109.02 142.36 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.4 m -115.72 132.12 56.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.725 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.83 139.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.259 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.72 122.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.8 mt -86.58 -11.86 50.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.469 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 8.3 t -79.82 -25.59 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.667 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 t -93.7 16.54 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -100.91 93.24 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.876 0.369 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.634 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -162.45 170.16 19.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.06 133.69 54.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.775 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -123.22 150.47 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.56 160.67 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 p -70.42 150.67 95.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.81 155.01 71.55 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.6 2.2 . . . . 0.0 112.372 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.99 62.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.552 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -0.36 57.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.371 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 m -106.96 112.9 26.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.665 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.89 -19.29 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -90.06 96.42 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 ptp -77.94 114.23 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.4 mtt -142.89 141.15 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.7 tp -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -115.94 129.83 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -111.6 130.6 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 mm -79.5 126.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.06 49.7 3.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.618 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mttp 49.84 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.869 0.366 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -97.43 135.05 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -116.74 39.7 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -148.71 38.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -106.46 -27.48 10.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -78.39 -31.57 48.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp 61.07 49.45 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.58 141.0 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -81.07 -169.65 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -138.97 163.49 32.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.779 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.56 -33.36 75.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -130.91 35.85 3.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.202 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 52.25 37.04 46.48 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.497 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -56.53 89.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.858 0.361 . . . . 0.0 111.052 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -156.02 47.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.9 m -64.14 -35.84 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 m -128.67 72.29 81.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.04 -162.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.547 2.165 . . . . 0.0 112.242 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.41 165.31 0.1 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.96 133.31 40.78 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.619 2.212 . . . . 0.0 112.243 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -81.07 127.45 32.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.654 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -117.67 136.45 53.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.04 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -99.6 109.52 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.0 ttp -102.14 122.72 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.26 153.67 25.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.99 117.99 31.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.385 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.0 m-85 -97.63 137.01 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.441 . . . . 0.0 111.749 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -97.15 9.77 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.415 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -155.23 125.34 6.67 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.943 0.402 . . . . 0.0 111.272 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 97' ' ' MET . 59.6 ttp180 -60.9 -40.38 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.653 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -42.7 95.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.49 -33.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.541 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.541 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.7 t0 -78.21 -28.22 47.96 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.752 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.4 -32.14 66.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.742 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.2 mm -86.05 -44.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.982 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.405 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 24.1 ttpp -57.64 -36.5 71.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.211 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.5 mtm -81.19 -40.51 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.347 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -69.24 -32.05 71.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.606 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.52 -29.5 66.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.385 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -67.16 -32.42 73.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.73 -39.76 91.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.26 -43.36 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.207 0.527 . . . . 0.0 109.908 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.6 mm -52.13 -52.63 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.734 0.778 . . . . 0.0 110.061 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -56.43 -29.84 62.1 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -71.82 -33.61 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 25.7 m-85 -70.99 -29.11 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -70.34 -39.72 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.724 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.14 -36.91 76.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.32 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.995 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 N--CA 1.478 0.585 0 CA-C-O 121.071 0.363 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m -58.52 -33.94 70.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -58.93 -24.59 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -116.63 129.03 55.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.67 151.86 22.91 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.898 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.93 139.57 58.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.981 0.42 . . . . 0.0 111.261 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.84 148.34 20.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.775 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 9' ' ' PHE . 27.4 mt -96.59 143.21 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.115 0.483 . . . . 0.0 111.405 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.68 106.39 4.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.878 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.99 49.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.27 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt 62.23 13.4 5.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 85.5 t -124.81 139.39 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 t -101.44 146.45 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 111.839 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.16 -179.87 39.85 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.383 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -93.02 126.97 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.227 0.537 . . . . 0.0 111.171 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.54 122.61 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.881 -179.109 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.32 141.95 51.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.621 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 mt -105.81 110.52 31.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.744 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -102.44 109.84 21.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.46 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.06 -14.03 39.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -52.39 -25.0 8.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.016 0.436 . . . . 0.0 110.757 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.52 153.99 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.864 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.9 107.64 8.25 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.845 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.31 149.94 88.26 Favored 'Cis proline' 0 C--N 1.346 0.409 0 C-N-CA 123.408 -1.497 . . . . 0.0 112.457 0.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.38 172.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.053 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -152.8 160.95 43.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.036 0.446 . . . . 0.0 111.619 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.451 ' CD1' HG21 ' A' ' 16' ' ' ILE . 15.6 tp -112.88 116.56 30.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 146.31 24.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 121.058 0.456 . . . . 0.0 111.972 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.3 110.01 9.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.435 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.3 ttm105 -103.43 127.3 50.84 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.33 160.54 8.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.751 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.94 -32.25 70.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.406 0.622 . . . . 0.0 110.062 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -69.89 -33.61 72.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.018 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.96 24.62 48.19 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.028 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -113.09 -20.5 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.756 0.312 . . . . 0.0 111.311 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -123.49 130.7 53.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.752 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -129.25 122.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.8 t60 -108.86 142.23 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.307 0.575 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 12.0 m -118.19 133.29 56.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.54 144.26 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.8 t -90.51 124.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.478 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' A' ' 107' ' ' ILE . 16.3 mt -88.04 -11.74 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.738 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 90.5 p -79.31 -28.56 42.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -81.07 -23.44 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.979 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mm -62.63 91.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -61.83 -30.14 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -157.97 167.56 29.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 108' ' ' ILE . 2.4 mp -119.46 133.48 55.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.71 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' NE2' ' CD1' ' A' ' 63' ' ' ILE . 30.7 mt-30 -124.48 142.44 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.5 154.82 45.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 p -70.49 143.64 90.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.33 164.03 36.26 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.498 2.132 . . . . 0.0 112.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.43 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.556 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.9 t -89.76 -0.74 57.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.678 0.275 . . . . 0.0 111.328 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.1 114.81 29.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.716 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -19.54 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.655 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -95.12 119.43 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.8 ptp -97.84 118.53 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.5 mtp -151.07 143.16 24.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -115.07 117.73 31.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.758 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -104.84 135.19 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.067 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mp -116.42 129.84 56.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.676 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.402 ' CD1' ' NE2' ' A' ' 49' ' ' GLN . 8.8 mm -98.71 130.34 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.293 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.54 178.46 50.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.312 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -69.73 165.46 21.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.75 -41.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.13 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 61.6 69.27 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -109.31 36.3 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -103.2 -25.26 13.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -85.97 -30.4 22.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.19 142.41 27.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -117.48 124.54 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -99.95 146.53 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -109.94 -20.28 12.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 t30 76.53 1.14 3.29 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.63 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -79.12 60.0 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.44 20.23 60.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.824 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -112.32 -28.83 7.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 60.08 -172.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 p -115.39 142.93 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 m -118.06 84.48 21.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.2 153.76 76.81 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.549 2.166 . . . . 0.0 112.365 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -119.85 73.36 17.84 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.04 128.03 16.98 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.635 2.223 . . . . 0.0 112.412 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.97 127.99 36.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.739 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -121.5 141.25 51.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -118.87 119.56 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.661 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 62.3 mtt -101.07 123.47 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.31 156.81 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.39 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.57 130.18 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.2 m-85 -109.51 151.48 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.561 . . . . 0.0 112.03 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -107.32 8.02 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.199 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -154.47 123.97 6.53 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.965 0.412 . . . . 0.0 111.304 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 97' ' ' MET . 74.8 ttt-85 -65.61 -26.68 67.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.914 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -45.04 33.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.242 0.544 . . . . 0.0 109.911 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.63 -32.19 54.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.606 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.454 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -74.94 -34.06 62.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.544 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.9 -28.93 60.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -71.92 -32.17 67.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.6 mm -84.57 -45.55 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.735 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -59.19 -42.29 90.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.4 tpp -68.15 -37.87 81.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -34.95 66.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.022 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.3 mt -69.73 -33.52 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.354 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.16 -34.36 77.39 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -64.99 -40.05 94.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.255 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.412 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 73.1 mt -58.29 -43.94 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.254 0.55 . . . . 0.0 109.885 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.401 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 6.8 mm -52.43 -52.49 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-O 121.852 0.834 . . . . 0.0 110.173 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t -55.23 -29.19 57.52 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -71.47 -33.89 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 44.2 m-85 -72.73 -28.18 62.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -32.4 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.807 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -58.66 -44.27 90.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.1 72.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.051 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.476 0.462 0 CA-C-O 120.849 0.271 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m -59.13 -35.06 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -59.61 -24.57 63.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.1 p -116.5 126.23 53.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.73 152.42 23.89 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.9 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.57 139.54 58.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 0.0 111.227 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.02 147.23 19.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.774 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.481 HG21 ' N ' ' A' ' 9' ' ' PHE . 29.5 mt -96.51 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.182 0.515 . . . . 0.0 111.417 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.91 106.37 4.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.887 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.02 49.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.249 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm 62.84 12.08 5.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 56.7 t -123.59 137.97 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.1 t -100.92 142.71 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.369 0.604 . . . . 0.0 111.624 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -162.18 -179.97 37.13 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.513 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.84 125.51 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.251 0.548 . . . . 0.0 111.152 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.457 HD12 HG23 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -101.48 121.9 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.992 -179.074 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.59 141.71 48.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mt -108.92 109.51 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -103.62 109.69 21.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.06 -15.67 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.26 -23.11 21.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.54 154.29 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.976 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.29 107.81 9.47 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.79 148.61 90.96 Favored 'Cis proline' 0 C--N 1.349 0.557 0 C-N-CA 123.465 -1.473 . . . . 0.0 112.532 0.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.36 172.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.93 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -155.25 157.79 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.128 0.489 . . . . 0.0 111.86 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 16' ' ' ILE . 2.2 tp -114.53 114.21 25.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.79 146.27 24.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.154 0.502 . . . . 0.0 111.932 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.5 t90 -134.27 112.01 10.7 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.588 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 21.2 ttp-105 -105.95 124.71 50.01 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -62.3 154.54 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -32.13 64.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.408 0.623 . . . . 0.0 110.275 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -66.99 -32.96 74.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.96 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.7 23.53 55.73 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.003 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -117.21 -17.13 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.634 0.254 . . . . 0.0 111.41 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -123.52 125.99 45.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.9 t -127.0 120.48 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.6 t60 -109.03 142.23 40.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.5 m -119.24 135.75 54.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.315 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -94.82 123.43 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.5 mt -88.04 -11.8 46.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.552 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.8 t -80.36 -28.26 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.7 t -83.21 -19.15 37.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.7 mm -63.48 93.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -62.89 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -159.11 168.47 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.32 125.92 45.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -117.8 152.68 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.55 164.51 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 p -70.44 148.36 95.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.49 153.95 69.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.656 2.237 . . . . 0.0 112.407 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.56 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.431 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 t -89.79 -0.41 57.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 m -107.06 113.17 26.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.96 -19.33 17.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.793 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -87.97 120.01 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 tpp -94.29 119.88 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 77.4 mtp -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -115.17 123.49 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -107.77 132.93 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mp -115.77 129.07 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.8 mm -94.78 118.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.062 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.26 70.41 0.64 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 mttp 51.59 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.881 0.372 . . . . 0.0 111.272 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.89 -67.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -77.2 122.19 24.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -111.4 37.19 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.0 m -60.55 -25.34 66.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -59.15 -32.67 70.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -79.89 149.78 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.9 mtp-105 -106.03 123.95 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 156.38 27.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -125.68 168.61 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -86.35 -0.49 56.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.478 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -96.55 38.09 1.23 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.883 0.373 . . . . 0.0 111.092 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.83 27.29 49.79 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.736 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.06 -36.88 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -127.69 154.05 45.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.46 -56.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.83 77.48 76.3 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -51.61 127.04 21.33 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.508 2.139 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -156.49 165.28 19.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 126.06 14.76 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.543 2.162 . . . . 0.0 112.179 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -88.47 126.4 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -132.93 141.82 48.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -117.65 109.9 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 43.6 ttm -94.91 122.27 37.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.69 155.08 24.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.26 119.99 36.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.43 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.6 m-85 -101.65 137.51 39.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 111.817 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -98.1 9.21 43.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.257 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -154.62 123.71 6.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.911 0.386 . . . . 0.0 111.343 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 97' ' ' MET . 41.4 ttp180 -60.87 -40.57 93.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -42.31 96.59 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.114 0.483 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.57 -33.52 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.626 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.12 -31.41 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.687 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 97' ' ' MET . 87.3 m-20 -78.16 -27.91 48.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -71.3 -32.46 68.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.16 -45.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.228 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.66 -30.75 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.2 -32.95 56.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.109 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.4 mt -70.97 -33.66 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.495 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -67.74 -35.08 78.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.134 0.492 . . . . 0.0 110.517 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 95.9 mm-40 -63.37 -41.49 98.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.53 -43.03 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 110.002 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.7 mm -53.09 -52.13 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.788 0.804 . . . . 0.0 110.257 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -54.33 -29.75 48.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.273 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.43 -36.14 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.993 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -74.17 -30.47 62.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -75.17 -31.48 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.63 -37.88 79.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.15 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.86 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo . . . . . 0 N--CA 1.476 0.457 0 CA-C-O 120.785 0.244 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -119.58 148.85 42.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.42 ' CD2' HG23 ' A' ' 18' ' ' ILE . 0.1 OUTLIER 178.06 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p -124.52 129.79 51.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.48 148.8 19.53 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.823 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 138.0 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 0.0 111.347 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.68 147.11 25.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.721 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.475 HG21 ' N ' ' A' ' 9' ' ' PHE . 27.4 mt -96.53 143.14 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.179 0.514 . . . . 0.0 111.385 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.513 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.11 106.27 4.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.861 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.3 mt-10 78.14 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 mttm 62.33 13.33 5.91 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 97.0 t -124.39 138.36 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -102.63 144.6 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.462 0.649 . . . . 0.0 111.777 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.07 -179.88 39.26 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.452 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.7 127.52 43.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.232 0.539 . . . . 0.0 111.126 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.76 118.6 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.654 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.46 142.97 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 HG23 ' CD2' ' A' ' 3' ' ' HIS . 1.2 mt -105.83 117.98 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -109.08 109.63 20.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -111.64 -5.33 14.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.63 -19.58 63.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.67 -162.06 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.429 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.52 113.13 0.8 Allowed Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -73.79 151.49 97.08 Favored 'Cis proline' 0 C--N 1.347 0.494 0 C-N-CA 123.516 -1.452 . . . . 0.0 112.473 -0.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.37 172.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.677 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -157.02 146.66 20.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.517 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -109.14 113.6 26.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 147.14 25.84 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 121.032 0.444 . . . . 0.0 111.829 -178.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.513 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -132.43 109.96 10.19 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.476 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -105.23 126.71 52.39 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.1 p -60.52 160.82 8.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.05 -31.91 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.484 0.659 . . . . 0.0 110.04 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.56 -33.46 71.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.43 24.66 46.14 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.194 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -113.79 -19.23 11.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 111.294 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -124.01 127.29 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.74 121.34 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.4 t60 -108.9 142.29 39.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.46 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.9 m -115.41 131.13 57.03 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.739 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 t -114.74 139.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.243 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 t -93.81 119.62 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.34 -11.82 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.605 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 9.6 t -80.46 -26.25 38.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.684 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -95.65 20.89 9.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.4 mm -105.13 101.09 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.99 -26.46 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.815 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.67 165.6 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 pp -133.08 116.6 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -110.95 154.4 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.53 161.05 38.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.4 p -70.57 148.86 95.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 161.81 44.54 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.543 2.162 . . . . 0.0 112.407 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -12.09 61.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.53 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.09 57.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 0.0 111.295 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -104.61 114.31 28.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.608 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.19 -18.98 29.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.708 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -96.05 103.94 15.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtt -81.63 122.71 27.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.6 mtt -150.16 138.33 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 tp -115.33 117.51 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.797 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -103.26 139.08 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.09 124.12 43.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.4 129.86 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.98 -175.6 50.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -116.76 -178.5 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.991 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -103.31 132.05 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -63.06 153.45 34.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.81 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -106.29 35.11 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.762 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.2 m -68.9 -25.33 64.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -59.9 -39.78 86.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -70.01 151.36 45.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 63.63 136.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -60.26 -165.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -137.99 169.4 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.729 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -68.0 -32.64 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 111.05 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -130.56 36.73 3.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.025 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.77 26.75 11.29 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.621 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -94.16 142.7 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 111.055 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -131.87 170.95 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.38 164.26 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.9 t -111.49 93.84 20.74 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -51.0 141.8 35.98 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.593 2.195 . . . . 0.0 112.358 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -142.44 92.09 7.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.35 128.17 24.68 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.489 2.126 . . . . 0.0 112.294 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -108.78 149.98 28.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -122.24 134.8 54.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -109.34 115.08 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.6 mtt -100.1 125.32 46.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 84.9 m-85 -117.1 161.85 18.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.08 118.91 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.457 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.5 m-85 -98.71 137.74 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -97.94 10.44 40.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.444 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -155.3 121.63 5.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.909 0.385 . . . . 0.0 111.222 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -64.89 -27.43 68.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.759 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -46.15 40.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.281 0.562 . . . . 0.0 110.048 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.9 -32.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.553 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.448 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.548 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.03 -29.52 61.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.03 -32.19 68.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.8 mm -86.0 -44.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.029 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.409 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 21.7 ttpp -56.57 -40.58 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.7 mtm -74.45 -40.33 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.357 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 t -71.4 -30.01 65.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.519 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.8 mt -72.7 -33.51 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.303 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.403 ' HA ' HG12 ' A' ' 108' ' ' ILE . 56.5 mt-30 -66.78 -32.71 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -41.38 93.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 80.3 mt -57.77 -43.53 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.886 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.3 mm -52.64 -52.56 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.823 0.82 . . . . 0.0 110.237 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -56.21 -31.24 63.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -72.16 -33.71 67.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 19.9 m-85 -71.7 -29.03 64.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.576 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -70.56 -39.34 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.694 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -59.45 -36.59 76.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.44 71.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.977 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo . . . . . 0 N--CA 1.476 0.46 0 CA-C-O 120.814 0.256 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -59.31 -34.53 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -59.34 -25.25 64.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -119.3 128.95 54.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.26 146.34 13.81 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.907 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.45 138.49 58.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 0.0 111.324 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.43 147.97 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.772 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 9' ' ' PHE . 28.3 mt -96.55 143.19 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 121.133 0.492 . . . . 0.0 111.352 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.515 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.78 106.35 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.856 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.0 mt-10 78.24 49.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.201 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.54 13.09 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 98.2 t -124.2 138.29 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.8 t -101.46 144.48 30.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.368 0.604 . . . . 0.0 111.807 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.72 -179.89 39.03 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.447 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.14 126.83 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.238 0.542 . . . . 0.0 111.14 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.484 HG22 HD11 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -101.72 120.49 51.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.628 -179.519 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.5 143.51 45.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -102.44 115.6 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -105.56 109.74 21.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -109.47 -5.44 15.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.958 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.56 -19.85 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.298 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -95.42 -162.22 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.449 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.01 113.06 0.76 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.92 151.96 97.6 Favored 'Cis proline' 0 C--N 1.347 0.453 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.471 -0.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HA ' HG11 ' A' ' 22' ' ' VAL . . . -54.27 165.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -152.98 148.63 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 111.38 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 tt -107.49 115.42 30.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.373 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.06 147.22 25.78 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.155 0.502 . . . . 0.0 111.791 -178.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -131.89 109.97 10.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.483 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 88.6 mtt180 -104.42 128.25 52.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -59.93 161.43 6.59 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -32.4 71.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.481 0.658 . . . . 0.0 110.084 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.86 -32.25 61.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.05 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.35 25.76 46.31 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.052 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -107.69 -21.25 12.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.797 0.332 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -127.13 130.31 49.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.77 122.69 61.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.217 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.9 t60 -108.91 142.31 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.428 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.2 m -114.69 136.73 52.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t -116.67 141.89 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.282 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.8 t -94.56 123.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 107' ' ' ILE . 12.9 mt -86.86 -11.79 49.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.688 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 4.7 t -80.24 -25.75 39.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.691 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 t -96.2 21.27 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.2 mm -104.5 95.88 4.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.251 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -61.47 -30.98 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -170.47 156.08 5.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.27 125.26 48.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.72 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -108.88 146.06 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.84 157.38 46.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.45 143.51 90.5 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.46 157.88 48.64 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.549 2.166 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.51 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m -89.94 0.67 56.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.283 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -106.32 112.24 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 110.632 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -56.78 -19.24 16.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -86.47 123.23 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -101.37 105.75 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 81.7 mtp -151.05 136.49 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 tt -115.34 122.35 45.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -103.47 145.41 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.5 123.35 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 33.4 mm -76.02 139.22 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.53 38.68 3.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.0 mttt 54.62 169.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.978 0.418 . . . . 0.0 111.453 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.7 p -97.69 49.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.196 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 59.57 37.69 22.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 49.94 45.12 25.38 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.312 0.577 . . . . 0.0 110.357 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 t -53.9 -24.77 17.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.464 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -57.73 -33.45 68.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -83.53 140.63 32.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 127.69 36.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -92.0 160.09 15.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -58.93 -24.64 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 76.31 1.03 3.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.637 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -89.15 63.42 6.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.792 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.3 12.78 64.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.64 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -108.6 32.35 4.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.338 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -58.67 -36.85 74.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.1 t 60.17 159.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.5 p -83.68 109.98 21.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.85 63.3 1.84 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.422 2.081 . . . . 0.0 112.319 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -129.11 87.32 54.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -51.16 123.93 12.95 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.628 2.219 . . . . 0.0 112.328 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -90.61 135.84 33.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.729 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -123.53 141.99 51.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -103.8 109.53 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.7 mtt -96.04 122.53 38.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -114.13 159.03 20.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.26 119.07 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.605 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.9 m-85 -98.49 138.29 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.031 0.443 . . . . 0.0 111.703 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.63 10.04 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.543 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -153.8 125.69 7.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.33 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 97' ' ' MET . 94.3 mtt180 -63.25 -28.09 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 -45.05 40.7 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.304 0.573 . . . . 0.0 109.91 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.38 -31.51 51.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.882 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 12.6 ptt? -77.31 -33.08 55.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.46 -24.88 36.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -73.92 -29.47 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.4 mm -86.07 -43.57 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.355 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -50.37 -38.12 40.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.471 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.5 mtm -71.66 -48.34 48.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 111.138 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 -41.32 91.23 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.22 -35.91 82.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -67.66 -32.99 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.656 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.66 -40.53 92.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.217 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 82.9 mt -57.88 -43.95 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.127 0.489 . . . . 0.0 109.794 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.2 mm -52.27 -52.5 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.748 0.785 . . . . 0.0 110.195 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -56.2 -31.61 63.61 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.089 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -72.81 -34.49 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 16.9 m-85 -72.74 -28.99 62.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.533 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -71.5 -37.18 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.718 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -58.31 -36.96 74.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.18 73.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.936 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.476 0.473 0 CA-C-O 121.159 0.4 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t 58.29 27.47 15.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -99.56 -21.26 15.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.191 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.4 p -115.9 127.92 55.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.57 149.03 20.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.809 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 137.3 58.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.21 147.08 24.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.806 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 9' ' ' PHE . 31.4 mt -96.47 143.22 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.041 0.448 . . . . 0.0 111.409 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.32 106.27 4.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.024 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.7 mt-10 77.97 49.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.292 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.44 12.72 5.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 93.2 t -123.79 138.46 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.3 t -101.98 143.97 31.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.535 0.683 . . . . 0.0 111.916 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.5 -179.91 39.51 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.107 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -92.33 128.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.324 0.583 . . . . 0.0 111.195 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.461 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -101.75 118.13 48.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.693 -179.467 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.47 142.28 40.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mt -109.66 110.18 31.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -109.6 109.8 20.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -93.85 -14.15 26.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.6 -23.36 27.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.943 0.401 . . . . 0.0 110.69 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.27 154.81 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.007 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.72 107.99 8.41 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.5 148.42 88.37 Favored 'Cis proline' 0 C--N 1.348 0.546 0 C-N-CA 123.657 -1.393 . . . . 0.0 112.402 0.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.71 169.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.4 156.56 32.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 0.0 111.467 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -113.45 118.78 35.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.349 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.2 147.3 25.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.048 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.7 t90 -132.96 109.94 9.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.542 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -104.38 126.68 51.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.09 161.41 6.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.776 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -32.35 71.35 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.03 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.98 -33.44 70.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.036 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.78 25.11 47.14 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.072 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -112.74 -19.67 11.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.285 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -125.26 126.34 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.727 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.1 t -125.31 121.95 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.069 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.2 t60 -108.91 142.27 39.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 5.8 m -113.59 133.61 55.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.55 141.34 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.5 t -91.93 123.44 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.644 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.0 -11.8 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.676 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -79.44 -28.78 41.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -82.74 -17.93 42.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.6 mm -68.49 93.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.237 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -62.22 -30.13 70.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.77 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -164.42 154.37 14.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pp -115.04 116.17 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -103.46 145.83 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.4 155.0 49.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.4 p -70.58 149.51 95.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.77 169.06 18.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.624 2.216 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.09 -6.04 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.601 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -89.79 -0.71 57.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.11 112.56 25.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.695 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.78 -18.57 22.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.913 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -92.88 135.3 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.31 120.06 38.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 38.4 ttm -151.13 129.82 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -115.14 122.86 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -105.5 130.07 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.004 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mp -109.42 130.54 55.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.0 124.02 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.38 177.51 51.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.385 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -72.37 169.45 16.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.366 . . . . 0.0 111.039 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 t -125.86 27.6 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -98.87 121.05 40.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -121.91 38.57 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -95.47 -23.81 16.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -67.63 -40.53 84.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -92.97 145.0 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -107.55 124.73 50.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -80.55 171.05 15.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -105.56 -23.54 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.1 t30 75.6 0.67 3.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.679 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -97.26 39.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.32 28.06 62.59 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.6 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -102.22 117.59 35.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -132.97 115.8 15.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.9 m -89.95 -35.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.7 p -178.26 65.44 0.18 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.99 60.16 4.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.62 2.213 . . . . 0.0 112.39 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -177.7 152.74 0.92 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.85 126.07 20.13 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.555 2.17 . . . . 0.0 112.242 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -83.55 116.82 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.723 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -119.45 138.72 52.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.998 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -111.74 116.0 30.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 71.2 mtm -96.18 111.04 23.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.55 143.54 32.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.8 122.62 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.463 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.0 m-85 -101.01 146.46 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 111.721 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -102.64 8.7 39.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.448 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -161.34 134.4 6.32 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.943 0.402 . . . . 0.0 111.636 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.5 mtt180 -64.42 -40.8 96.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.475 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -39.97 95.76 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.156 0.503 . . . . 0.0 110.603 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.2 t -72.64 -35.12 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.384 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.467 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 7.5 ptm -75.61 -32.64 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.324 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 -28.77 48.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.17 -32.7 67.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.07 -44.37 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.3 -41.11 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mmm -72.25 -38.68 68.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.129 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -37.29 69.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.96 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.9 mt -68.04 -31.96 71.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.285 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.406 ' HA ' HG12 ' A' ' 108' ' ' ILE . 1.7 mm100 -66.2 -35.76 81.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.16 -41.49 97.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.308 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 80.7 mt -57.57 -43.79 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.406 HG12 ' HA ' ' A' ' 105' ' ' GLN . 4.9 mm -52.24 -52.6 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.81 0.814 . . . . 0.0 110.236 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.2 m -53.43 -29.81 37.24 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.321 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -71.26 -34.14 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 59.2 m-85 -70.38 -28.52 65.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.669 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -69.44 -35.02 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.36 -37.58 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.72 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.31 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.475 0.441 0 CA-C-O 120.748 0.228 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t 68.24 -68.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -80.19 -22.8 41.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.238 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p -122.98 127.12 48.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.035 0.445 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 149.69 20.27 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.787 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.25 137.3 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 0.0 111.385 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.55 148.07 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.674 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 9' ' ' PHE . 30.9 mt -96.5 143.35 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 111.391 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.7 t80 -144.79 106.38 4.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.069 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.57 49.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.376 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? 61.44 15.03 6.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 79.0 t -125.63 140.19 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 m -103.09 147.95 26.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.5 0.667 . . . . 0.0 112.062 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -170.18 180.0 42.06 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.049 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -93.87 129.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.363 0.601 . . . . 0.0 111.221 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.459 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -101.78 118.6 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.636 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.8 143.17 43.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -104.16 118.52 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 120.986 0.422 . . . . 0.0 110.671 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -109.07 109.68 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 7.1 pt-20 -111.01 -5.66 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.927 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.82 -19.81 62.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.268 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -96.7 -161.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.432 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 17.6 p -165.98 113.31 0.77 Allowed Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.788 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.19 151.55 97.2 Favored 'Cis proline' 0 C--N 1.348 0.506 0 C-N-CA 123.481 -1.466 . . . . 0.0 112.46 -0.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' HA ' HG11 ' A' ' 22' ' ' VAL . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.612 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -156.67 147.05 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 111.476 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 tt -108.14 113.92 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.381 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 147.27 25.77 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 121.099 0.476 . . . . 0.0 111.757 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -131.38 109.92 10.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.451 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.403 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 93.9 mtt-85 -103.77 125.32 50.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -56.91 164.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.811 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -33.5 70.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.404 0.621 . . . . 0.0 109.983 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -77.33 -37.83 51.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 -23.65 29.01 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.102 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.13 -21.63 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -107.35 126.25 52.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.947 0.403 . . . . 0.0 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.99 113.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.8 t60 -110.88 142.22 43.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.206 0.527 . . . . 0.0 111.231 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 9.0 m -114.38 132.55 56.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.803 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t -116.38 142.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.322 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.9 t -94.36 122.98 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.664 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.7 mt -87.96 -11.88 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.612 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 12.0 t -80.55 -27.57 37.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.896 0.379 . . . . 0.0 110.79 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.3 t -86.19 -5.86 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.354 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.5 mm -80.38 98.97 3.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.882 0.373 . . . . 0.0 111.244 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -60.92 -27.93 68.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.713 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -172.18 149.26 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -109.19 116.42 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.791 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -104.18 155.42 18.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.6 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.6 p -70.5 152.13 95.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.47 159.25 51.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.532 2.154 . . . . 0.0 112.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -10.63 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.57 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.6 m -89.74 -0.06 57.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 114.19 28.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -57.24 -19.34 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -90.52 104.53 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.08 114.65 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.0 mtt -145.11 146.84 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 91' ' ' PHE . 3.2 mm? -115.32 137.76 51.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -116.87 124.88 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mp -101.76 132.51 47.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 63' ' ' ILE . 21.6 mm -104.01 123.8 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.135 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.3 124.29 7.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.4 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -64.77 -179.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.5 t -69.63 -35.14 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 62.01 47.05 6.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -108.79 36.23 2.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.8 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -145.73 26.19 1.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.995 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -143.3 -51.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -88.5 157.12 18.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -100.32 122.86 43.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -118.96 149.2 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -130.97 163.46 27.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -88.54 0.6 56.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.481 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -91.42 43.68 1.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.53 26.95 34.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.667 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -120.85 29.06 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -125.78 143.07 51.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.69 146.36 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.44 ' N ' ' HD2' ' A' ' 82' ' ' PRO . 10.5 t -76.92 -48.39 2.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.576 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 81' ' ' VAL . 94.9 Cg_endo -79.08 79.11 3.48 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.282 1.988 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -87.59 -52.06 0.41 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 83' ' ' LYS . 45.5 Cg_exo -56.42 122.77 12.37 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.458 2.105 . . . . 0.0 112.183 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -101.3 122.77 44.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -105.04 134.92 47.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.023 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -128.05 112.04 14.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -100.02 119.84 38.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -111.32 155.68 22.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.049 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.55 120.56 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.8 m-85 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.055 0.455 . . . . 0.0 111.663 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -97.26 10.87 38.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.48 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -155.22 117.36 4.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.975 0.417 . . . . 0.0 111.151 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -60.86 -29.02 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.893 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.19 -47.3 44.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.249 0.547 . . . . 0.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.17 -31.07 51.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.577 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.447 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -73.51 -33.16 64.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.647 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 97' ' ' MET . 46.8 t0 -73.73 -29.42 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.79 -30.1 63.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mm -86.13 -42.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 22.0 ttpp -57.78 -39.55 77.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.266 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.7 mtt -77.26 -40.47 44.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.394 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -69.95 -31.4 69.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.7 mt -71.72 -34.4 69.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -66.55 -31.63 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.17 -42.3 93.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.333 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.19 -43.58 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.115 0.483 . . . . 0.0 109.838 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.2 mm -52.31 -52.81 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.808 0.814 . . . . 0.0 110.162 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.6 t -57.03 -27.13 61.36 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -33.25 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 30.8 m-85 -71.27 -28.76 64.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.39 -39.79 74.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.744 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.29 -32.92 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.857 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.476 0.475 0 CA-C-O 121.147 0.395 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 m -59.07 -34.16 71.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -59.04 -25.87 64.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 p -119.01 126.27 51.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.25 150.85 22.45 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.97 138.51 58.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.99 0.424 . . . . 0.0 111.331 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.764 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 9' ' ' PHE . 29.3 mt -96.61 143.16 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 CA-C-O 121.051 0.453 . . . . 0.0 111.314 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.82 106.36 4.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.912 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.23 49.54 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.217 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm 62.45 13.11 5.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 98.3 t -124.11 138.53 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -101.81 144.75 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.378 0.608 . . . . 0.0 111.768 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.85 -179.95 39.16 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.368 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.53 126.35 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 0.0 111.089 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.67 119.92 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.659 -179.486 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.35 142.8 46.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.92 113.12 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.75 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -102.47 109.67 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 6.5 pt-20 -108.75 -3.8 17.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.908 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -63.68 -19.9 65.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.162 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.55 -161.9 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.777 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.446 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.18 113.22 0.75 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.96 151.6 97.22 Favored 'Cis proline' 0 C--N 1.346 0.444 0 C-N-CA 123.632 -1.403 . . . . 0.0 112.265 -0.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -156.57 150.25 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 111.477 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -110.47 112.8 24.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.545 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.21 25.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.815 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -131.41 110.71 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.425 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -105.27 127.1 52.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.13 160.04 8.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.964 0.411 . . . . 0.0 110.779 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -32.2 70.34 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.413 0.625 . . . . 0.0 110.012 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.57 -32.63 64.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.51 25.47 46.86 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.012 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -109.82 -20.48 12.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -126.29 128.21 46.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.02 121.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.139 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.6 t60 -108.95 142.36 39.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.193 0.52 . . . . 0.0 111.082 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 8.6 m -115.1 131.77 56.82 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.89 141.45 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.14 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.08 120.22 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 mt -84.49 -11.87 55.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.55 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 7.5 t -81.15 -24.86 37.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.721 0.296 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -95.1 20.68 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.0 mm -96.61 100.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.16 -27.37 65.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -176.63 163.74 2.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.74 138.35 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -127.18 138.21 53.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.792 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.62 154.92 49.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -70.58 151.91 95.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.21 152.04 76.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.183 . . . . 0.0 112.384 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.82 -15.59 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.496 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.2 m -89.73 -0.12 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.336 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 113.67 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.79 -18.98 25.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.777 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -84.4 112.05 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.8 mtm -88.54 116.54 26.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 85.8 mtp -150.99 133.58 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 tp -115.3 113.1 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.541 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -103.01 135.32 44.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mp -111.54 128.3 55.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.736 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.1 mm -86.77 127.63 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.77 153.84 40.85 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.359 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -69.94 167.25 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.061 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.64 134.86 50.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -113.05 47.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -110.1 36.64 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.774 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -133.93 26.11 3.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.049 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -96.2 -69.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.55 154.82 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -107.47 122.09 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -140.03 -176.77 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -177.78 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.719 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 61.85 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.972 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 74' ' ' ASP . 98.1 mt-10 -119.24 38.41 3.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.811 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.33 30.64 75.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -131.6 51.27 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.984 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.28 -30.04 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t 65.02 100.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.9 m -67.5 112.17 9.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.4 148.1 64.19 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.438 2.092 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -115.36 131.52 23.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.62 133.24 27.21 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.458 2.105 . . . . 0.0 112.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -80.91 131.56 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.713 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -113.54 135.02 54.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.54 109.46 21.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.533 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 37.2 ttm -94.9 128.28 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 87.6 m-85 -119.35 163.04 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.37 122.39 33.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.407 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.7 m-85 -103.62 150.25 24.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.0 111.871 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -108.1 10.9 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.132 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -156.29 129.48 8.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.892 0.377 . . . . 0.0 111.36 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 97' ' ' MET . 95.6 mtt180 -67.45 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.72 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -44.89 33.65 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.231 0.538 . . . . 0.0 109.773 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.4 -32.28 54.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.709 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.462 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -75.93 -34.26 59.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -79.24 -27.1 42.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -71.08 -31.41 67.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.6 mm -85.21 -46.69 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -58.99 -39.26 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.747 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 tpp -70.76 -38.92 73.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.401 ' O ' ' CG ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -77.34 -24.34 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 179.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.422 ' O ' HG12 ' A' ' 108' ' ' ILE . 30.9 mt -80.8 -29.57 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -71.09 -35.78 71.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 103' ' ' THR . 10.1 pt20 -66.21 -38.17 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.018 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.83 -43.54 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.87 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 104' ' ' LEU . 6.6 mm -52.76 -52.36 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.864 0.84 . . . . 0.0 110.3 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.8 t -54.44 -30.78 53.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.288 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -71.19 -32.11 68.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 38.5 m-85 -71.18 -28.49 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.681 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -69.65 -35.6 75.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.766 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.06 -37.85 81.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.41 73.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.874 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 N--CA 1.476 0.479 0 CA-C-O 120.894 0.289 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.72 -45.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -59.21 -26.38 64.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 p -120.51 127.13 51.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.39 147.25 14.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.82 138.47 58.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.105 0.478 . . . . 0.0 111.301 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . . . -154.08 148.29 25.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.791 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 9' ' ' PHE . 26.3 mt -96.6 143.15 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.072 0.463 . . . . 0.0 111.345 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.516 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.18 106.29 4.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.846 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.7 mt-10 78.55 49.26 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.214 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttt 62.16 13.84 6.14 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 61.5 t -124.9 138.6 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -101.52 146.05 28.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.397 0.618 . . . . 0.0 111.777 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.4 -179.93 40.02 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.368 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.28 127.66 44.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.23 0.538 . . . . 0.0 111.117 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.459 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.73 118.47 48.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.686 -179.498 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.19 143.55 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.19 119.72 50.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.06 109.61 20.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 8.0 pt-20 -112.88 -6.7 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.86 -19.54 62.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.315 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.61 -162.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.437 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.53 112.96 0.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.66 151.27 96.82 Favored 'Cis proline' 0 C--N 1.347 0.499 0 C-N-CA 123.526 -1.447 . . . . 0.0 112.453 0.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -54.4 169.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.89 146.43 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.401 . . . . 0.0 111.388 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 tt -106.25 115.52 30.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 147.27 25.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.921 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.516 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -132.35 110.02 10.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 98.0 mtt180 -103.45 127.6 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -60.01 161.83 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 110.743 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.29 -31.99 71.83 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.423 0.63 . . . . 0.0 110.006 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.69 -32.26 65.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.074 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.09 24.66 47.5 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.083 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -112.1 -22.2 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -120.26 127.79 52.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.1 t -126.91 120.59 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.18 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' TRP . 8.2 t60 -108.97 142.26 39.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.419 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 6.9 m -114.86 135.42 54.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.706 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.5 t -117.94 140.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.248 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.03 122.86 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.06 -11.78 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.581 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 35.0 p -80.59 -24.91 38.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -96.56 20.88 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.0 mm -103.53 101.52 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.874 0.368 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.55 -26.33 65.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -173.61 165.97 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 pp -124.57 123.76 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.722 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -108.55 147.38 31.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.46 151.38 43.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.6 p -71.87 143.97 87.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.5 164.94 32.8 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.586 2.19 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.94 -12.76 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.468 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.77 -0.52 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.09 114.9 29.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.378 . . . . 0.0 110.583 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.96 -18.95 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.752 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -95.79 104.33 16.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.84 110.3 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.7 mtp -144.86 144.4 31.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.019 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -115.38 125.57 53.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -110.92 142.4 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.44 124.68 44.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.4 mm -89.8 125.17 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.37 166.22 52.33 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.404 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -66.4 161.12 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.01 134.12 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -134.44 39.26 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -128.34 37.8 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.81 -26.92 9.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -123.96 -0.18 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.435 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.45 87.26 0.1 Allowed 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.342 0.592 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -60.72 -157.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.222 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -147.21 -176.25 5.15 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -146.1 175.4 10.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -63.09 -28.37 70.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -126.3 36.05 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.67 30.28 27.52 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.681 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -96.35 137.43 35.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.086 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -125.8 136.5 53.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.9 p -169.8 59.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.009 0.433 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.0 m -127.04 67.69 70.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.38 123.49 9.94 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.519 2.146 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 mttp 58.58 163.37 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.83 141.88 46.11 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.578 2.186 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -80.99 123.14 28.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.17 140.92 48.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.025 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -102.07 112.8 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 47.5 ttm -96.01 122.22 38.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.003 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.65 156.86 22.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.47 118.56 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.3 m-85 -98.82 140.12 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.118 0.485 . . . . 0.0 111.659 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -99.53 10.74 40.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.478 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -155.74 129.65 8.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 111.424 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -66.63 -27.9 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.817 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.41 -45.5 46.25 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.297 0.57 . . . . 0.0 110.047 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -69.69 -32.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.746 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.45 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 3.2 ppp? -78.64 -31.92 47.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.4 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -80.64 -26.07 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.65 -29.35 61.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 mm -85.96 -41.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -54.67 -35.34 63.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.474 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mtm -78.67 -47.68 16.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.948 0.404 . . . . 0.0 111.516 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -62.19 -40.61 96.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.613 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.32 -33.25 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.449 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -66.58 -32.92 74.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.57 -41.12 93.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.408 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.08 -43.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.461 . . . . 0.0 109.955 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.5 mm -52.58 -52.44 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.71 0.766 . . . . 0.0 110.184 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 p -53.67 -35.84 61.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.113 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -67.08 -32.11 73.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 27.5 m-85 -71.83 -28.9 63.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.664 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.83 -34.22 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.34 -37.71 78.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.22 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.921 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 N--CA 1.476 0.48 0 CA-C-O 120.868 0.278 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -117.12 -75.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -61.51 -24.48 66.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.0 p -122.05 130.29 53.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 149.28 18.64 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.915 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.97 138.22 58.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.041 0.448 . . . . 0.0 111.345 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.77 148.56 22.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.762 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 9' ' ' PHE . 30.6 mt -96.54 143.27 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 CA-C-O 121.093 0.473 . . . . 0.0 111.377 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.6 t80 -143.53 106.36 4.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.147 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 58.0 mm-40 77.61 50.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.337 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 61.83 13.32 5.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 74.7 t -124.55 139.22 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -100.58 146.7 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.473 0.654 . . . . 0.0 111.896 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.26 -179.93 40.48 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.079 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.483 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -94.91 129.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.34 0.59 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.52 123.28 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.96 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.94 49.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.71 110.87 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.63 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -93.15 109.47 20.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -107.41 -7.24 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.61 -20.77 50.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.92 -161.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.672 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.463 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -167.42 113.92 0.65 Allowed Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.95 153.36 95.95 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.674 -1.386 . . . . 0.0 112.192 0.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . -54.18 172.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.49 161.03 40.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 111.544 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 1.7 tm? -115.14 106.97 14.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.108 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.6 146.57 25.04 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 120.994 0.426 . . . . 0.0 112.083 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -134.3 110.02 9.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.591 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 38.9 ttm180 -102.44 128.48 49.03 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -61.16 161.43 8.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.853 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -32.08 72.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.014 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.29 -32.38 68.58 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.09 51.03 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.05 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -114.03 -19.75 11.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.789 0.328 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -124.49 127.31 47.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.93 124.89 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.2 t60 -108.85 142.19 39.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.298 0.57 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 17.8 m -119.49 134.71 55.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.78 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 16.7 t -122.12 142.36 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.231 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -94.33 117.82 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.89 -11.59 59.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.673 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 1.3 t -77.04 -24.71 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.836 0.351 . . . . 0.0 110.697 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -96.55 24.26 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.4 mm -104.21 100.24 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.94 0.4 . . . . 0.0 111.2 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -59.54 -28.01 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -176.36 165.13 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.834 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.6 pt? -128.02 130.75 48.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.744 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -119.42 161.79 19.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.58 154.78 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -70.61 148.09 94.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.16 161.65 45.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.533 2.155 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.7 -11.66 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.558 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.0 m -89.75 -0.18 57.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 p -104.21 113.36 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.585 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.57 -19.07 23.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -96.01 117.32 30.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.4 mmm -91.34 119.57 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.05 145.86 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -115.13 133.37 56.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.458 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 mtt85 -102.98 145.32 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 tp -126.89 117.15 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.6 mm -88.91 125.38 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.15 155.51 44.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.134 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -55.09 150.35 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 111.142 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.5 t -133.4 -45.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.265 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -66.71 118.11 9.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -118.05 39.91 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.0 m -57.49 -24.26 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -59.64 -40.5 87.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -89.85 133.94 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -72.66 130.37 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -86.15 146.3 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.26 -24.81 63.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 76.48 -0.1 3.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.664 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -103.76 38.31 1.85 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.961 0.41 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.61 25.35 63.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.562 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -60.38 -35.11 74.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -147.01 94.3 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.45 -37.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.9 t -152.53 135.96 9.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.01 -169.73 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.402 2.068 . . . . 0.0 112.316 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -123.92 76.15 57.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.89 128.27 29.77 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.598 2.199 . . . . 0.0 112.278 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -90.33 117.17 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 134.95 46.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -123.72 116.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.581 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.9 mtm -102.73 117.53 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 58.7 m-85 -105.04 149.47 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.77 126.82 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.343 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.3 m-85 -108.23 139.97 42.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.518 . . . . 0.0 112.044 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -101.4 9.8 41.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.1 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -153.8 125.63 7.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 111.408 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -63.49 -41.68 98.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.517 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.92 97.82 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.089 0.471 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.0 t -69.31 -37.93 76.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.5 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.446 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 2.5 ptt? -72.31 -35.48 68.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -72.29 -31.32 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -70.81 -34.72 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.482 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.8 mm -86.24 -43.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.9 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.411 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 7.9 ttpm? -55.15 -49.9 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.74 -34.12 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -36.09 66.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.2 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.1 mt -68.44 -35.01 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.454 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' HA ' HG12 ' A' ' 108' ' ' ILE . 64.0 mt-30 -66.57 -34.46 77.95 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -65.35 -40.64 93.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.4 mt -57.98 -44.01 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.192 0.52 . . . . 0.0 109.856 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.408 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.4 mm -51.59 -52.69 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.854 0.835 . . . . 0.0 110.133 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.4 t -52.67 -28.49 21.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.208 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -70.29 -35.04 73.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 66.0 m-85 -71.51 -27.88 63.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.644 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -35.25 70.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.655 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -60.81 -39.21 88.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.31 -33.32 74.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.9 t0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 N--CA 1.476 0.499 0 CA-C-O 120.908 0.295 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -60.02 -30.4 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.449 ' CD2' ' CG2' ' A' ' 103' ' ' THR . 66.0 m80 -97.15 26.58 4.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p -164.01 125.71 2.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.998 0.428 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.25 153.51 24.59 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.926 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.02 139.32 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.93 0.395 . . . . 0.0 111.344 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.24 149.04 22.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.606 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 9' ' ' PHE . 28.2 mt -96.57 143.4 12.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 111.279 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t80 -144.57 106.35 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.117 178.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 71.8 mt-10 77.5 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.21 15.2 6.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.454 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 71.2 t -126.2 140.37 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.3 p -99.19 150.46 22.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.42 0.629 . . . . 0.0 111.807 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.17 174.02 44.82 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.592 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -90.41 126.65 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.445 HG23 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -101.21 122.5 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.996 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.94 141.82 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mt -107.29 109.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -102.46 109.71 21.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.52 -14.57 28.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.229 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.74 -23.83 19.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.95 0.405 . . . . 0.0 110.632 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.86 154.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.004 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.36 107.94 9.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.31 148.4 91.18 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 123.444 -1.482 . . . . 0.0 112.658 0.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.43 172.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.998 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -156.35 160.54 39.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.131 0.491 . . . . 0.0 111.696 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' CD1' HG21 ' A' ' 16' ' ' ILE . 14.6 tp -112.49 114.61 27.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.137 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.51 24.32 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.141 0.496 . . . . 0.0 112.33 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.44 109.87 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.388 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' ILE . 2.1 mpt_? -101.69 125.05 48.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -57.98 154.57 12.25 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.066 0.46 . . . . 0.0 111.043 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -30.82 66.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.93 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -71.93 -32.37 67.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.98 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.86 24.51 48.99 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.046 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -114.49 -18.36 11.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.326 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -125.9 133.27 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.49 120.87 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.0 t60 -108.94 142.14 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.991 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.7 m -122.42 133.19 54.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.752 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -113.05 133.34 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.56 112.84 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.33 -11.86 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.793 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.408 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 82.7 p -78.67 -26.9 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.682 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -86.67 -22.18 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.1 mm -62.34 94.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.735 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -161.18 164.48 30.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.406 ' CD1' ' CG ' ' A' ' 105' ' ' GLN . 2.3 pt? -127.39 135.88 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -124.36 144.86 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.77 160.69 38.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.231 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.31 147.27 95.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.4 154.2 69.48 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.42 -17.73 64.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -89.75 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.397 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -107.04 113.8 27.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.21 -18.8 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.21 116.87 24.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.75 113.1 24.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.6 mtp -150.95 133.38 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tt -115.34 128.36 56.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -108.81 137.82 46.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.988 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mp -119.3 127.96 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.18 136.35 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.286 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.3 163.61 29.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -78.54 176.63 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.051 0.453 . . . . 0.0 111.256 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -127.46 132.01 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.05 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -176.5 40.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -136.96 38.71 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.6 p -83.67 -26.42 29.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -77.88 -36.07 50.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.58 121.76 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -134.92 131.21 37.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -109.58 168.24 9.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.34 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -58.55 -21.78 53.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -97.18 38.56 1.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.32 35.36 88.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.618 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -107.32 97.64 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.16 -34.69 73.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.3 p -134.98 140.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.58 76.81 74.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.62 128.91 17.84 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.533 2.155 . . . . 0.0 112.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -76.75 -49.93 2.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 83' ' ' LYS . 75.2 Cg_endo -78.28 139.19 16.5 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.324 2.016 . . . . 0.0 112.451 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -123.01 142.26 51.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -118.79 135.32 54.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.808 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -120.58 109.45 15.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.6 ttp -96.85 122.54 39.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 81.0 m-85 -112.78 156.3 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.6 116.65 22.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.194 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.9 m-85 -97.62 132.58 43.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.049 0.452 . . . . 0.0 111.72 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -94.07 8.86 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.412 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -149.77 126.91 11.29 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 111.35 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.513 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 35.3 ttm180 -63.2 -47.81 80.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.726 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -34.71 78.93 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.6 t -70.35 -37.48 71.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.951 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.513 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 12.3 ptt? -73.8 -33.29 64.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.664 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.67 -28.13 51.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.784 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -71.57 -34.41 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.2 mm -86.14 -45.22 16.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.041 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -59.07 -43.06 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.7 mmm -66.45 -36.29 82.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.449 ' CG2' ' CD2' ' A' ' 3' ' ' HIS . 0.8 OUTLIER -77.05 -38.16 53.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.947 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -29.74 65.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.812 179.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.406 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 55.7 mt-30 -65.29 -35.74 81.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.98 -39.32 90.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 76.0 mt -59.16 -43.74 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.795 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.404 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.0 mm -52.2 -52.65 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 CA-C-O 121.791 0.805 . . . . 0.0 110.095 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -55.87 -26.16 45.76 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -34.76 64.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.738 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.408 ' CE1' ' HA ' ' A' ' 43' ' ' SER . 47.4 m-85 -74.06 -31.39 62.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -75.17 -34.76 61.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.08 -38.78 83.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.33 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.853 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo . . . . . 0 N--CA 1.476 0.45 0 CA-C-O 120.753 0.23 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -126.34 147.12 49.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 m80 60.61 28.35 18.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.7 p -177.93 121.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.31 153.34 24.1 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.011 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -65.14 139.57 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 111.295 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.67 147.95 22.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.798 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.461 HG21 ' N ' ' A' ' 9' ' ' PHE . 30.0 mt -96.63 143.3 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.101 0.477 . . . . 0.0 111.268 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.522 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.5 t80 -145.55 106.32 4.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.921 178.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.2 mt-10 78.26 49.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.244 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm 62.04 14.22 6.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 96.8 t -125.05 139.65 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 m -102.43 146.35 28.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.347 0.594 . . . . 0.0 111.833 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.39 -179.88 39.99 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.391 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.98 126.58 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.267 0.556 . . . . 0.0 111.148 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.459 HG23 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -101.45 122.82 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.918 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.53 142.75 49.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.621 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -103.59 115.27 45.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -100.03 109.68 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -109.25 -7.23 15.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.99 -19.97 55.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.208 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.25 -162.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.455 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 16.5 p -166.46 113.38 0.72 Allowed Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.58 152.54 97.8 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.418 -1.493 . . . . 0.0 112.494 0.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . -54.32 172.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -148.69 160.95 42.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.424 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD1' HG21 ' A' ' 16' ' ' ILE . 18.1 tp -119.71 110.57 16.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.428 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 146.37 24.22 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-O 121.04 0.448 . . . . 0.0 111.948 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.522 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.2 110.0 9.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.47 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 77.5 mtm180 -103.42 126.68 50.71 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.45 160.13 9.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.933 0.397 . . . . 0.0 110.775 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -32.22 70.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.4 0.619 . . . . 0.0 109.989 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.82 -33.1 68.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.048 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.45 23.77 49.56 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.213 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -111.96 -20.3 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.663 0.268 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -122.37 126.49 48.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.1 t -125.85 120.73 58.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.187 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.8 t60 -108.89 142.28 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.166 0.508 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.456 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 25.9 m -121.69 132.03 54.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.794 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.17 142.86 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.07 121.91 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.693 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 mt -85.42 -11.74 53.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.558 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -80.12 -25.27 39.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 110.758 179.735 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -95.07 20.66 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mm -98.82 98.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.69 -26.81 68.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.24 162.26 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -123.48 134.3 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -118.15 153.2 34.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.54 158.01 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.36 147.71 95.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.6 153.96 68.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.601 2.201 . . . . 0.0 112.433 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -17.5 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.452 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.78 -0.74 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.43 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -107.05 114.03 27.86 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.33 -18.84 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.675 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -85.75 119.79 26.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.9 mtt -97.07 112.04 23.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 56.4 mtt -151.14 131.93 14.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.961 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mp -115.3 119.14 35.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.97 126.22 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.75 130.89 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.2 mm -74.45 145.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.84 31.79 8.21 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 mttm 49.7 -175.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 111.416 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.4 t -117.54 141.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -96.44 39.23 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -112.01 37.21 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -68.37 -24.0 64.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -82.53 -12.94 57.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 64.53 55.39 1.35 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.821 0.343 . . . . 0.0 110.818 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -59.7 134.03 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -85.63 164.51 17.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -79.11 -19.58 50.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -80.91 0.19 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.429 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -93.08 39.52 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.31 22.47 74.66 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.976 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -134.73 134.28 40.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 111.002 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -85.14 -51.77 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.779 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.6 t -120.33 126.0 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.481 ' N ' ' CD ' ' A' ' 82' ' ' PRO . 5.8 t -85.76 -46.56 0.6 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.494 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 81' ' ' VAL . 75.4 Cg_exo -49.95 132.64 32.81 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.362 2.041 . . . . 0.0 112.494 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 2.3 ttpm? -171.59 54.39 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 83' ' ' LYS . 60.3 Cg_endo -72.48 144.33 40.3 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.611 2.207 . . . . 0.0 112.509 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -100.6 133.97 44.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -115.05 138.81 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.154 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -108.3 117.07 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -104.27 129.27 52.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -117.53 161.01 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.45 123.22 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.269 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.9 m-85 -100.96 136.64 40.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.152 0.501 . . . . 0.0 111.848 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -98.46 9.98 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.263 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -152.88 129.22 10.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 97' ' ' MET . 8.5 tpp180 -64.78 -46.79 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.733 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -39.46 94.28 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.063 0.458 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.95 -33.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.676 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.46 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -74.85 -31.73 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.749 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -79.52 -27.42 41.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.59 -32.13 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mm -86.02 -44.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.41 -45.6 80.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.2 mtp -69.5 -36.22 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 110.944 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -39.52 72.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.186 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.76 -32.22 73.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -68.24 -33.17 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -65.19 -40.76 94.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.51 -44.6 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 121.188 0.518 . . . . 0.0 109.8 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.8 mm -52.43 -52.61 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 121.835 0.826 . . . . 0.0 110.353 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.7 t -56.48 -26.94 55.69 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.325 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.419 ' NH1' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -75.77 -34.08 60.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 33.9 m-85 -76.49 -29.93 57.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.487 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -75.95 -31.14 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.828 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.68 -36.69 74.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.22 -33.28 73.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.819 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 N--CA 1.476 0.443 0 CA-C-O 120.795 0.248 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t 68.64 -67.7 0.2 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -97.95 27.8 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.0 p -176.01 118.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.83 161.13 31.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.898 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.489 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -71.32 137.6 48.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.084 0.469 . . . . 0.0 111.426 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.84 145.69 24.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.611 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 9' ' ' PHE . 32.0 mt -96.36 143.27 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.097 0.475 . . . . 0.0 111.309 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.0 t80 -144.41 106.34 4.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.017 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 56.8 mm-40 78.21 49.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.388 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp 62.3 13.13 5.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' O ' ' HZ2' ' A' ' 29' ' ' TRP . 85.9 t -123.75 138.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -101.94 145.28 29.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.46 0.647 . . . . 0.0 111.879 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.21 -179.88 39.89 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.134 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -94.79 129.13 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.383 0.611 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.443 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -101.47 121.26 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.822 -179.106 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.31 143.33 45.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 mt -104.99 117.85 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.702 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -103.48 109.51 21.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -107.06 -8.65 16.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.984 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -58.66 -20.38 47.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -98.01 -162.14 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.437 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -166.87 113.68 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.25 153.18 96.36 Favored 'Cis proline' 0 C--N 1.346 0.429 0 C-N-CA 123.428 -1.488 . . . . 0.0 112.37 0.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . -54.27 172.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.658 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.17 161.1 39.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.121 0.486 . . . . 0.0 111.743 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' CD1' HG21 ' A' ' 16' ' ' ILE . 17.9 tp -122.78 106.83 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.149 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.21 146.4 24.79 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.138 0.494 . . . . 0.0 111.939 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.3 t90 -134.13 109.98 9.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.329 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.403 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 72.3 ttt-85 -103.88 126.79 51.26 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -60.94 160.59 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.974 0.416 . . . . 0.0 111.001 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -31.98 71.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.501 0.667 . . . . 0.0 109.958 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -71.5 -33.19 69.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.013 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.53 25.36 47.23 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.004 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -112.37 -18.02 12.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -128.1 130.03 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.405 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.5 t -127.57 121.75 57.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.017 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.1 t60 -108.84 142.18 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.241 0.543 . . . . 0.0 111.233 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.453 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 20.2 m -119.84 132.54 55.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.772 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.57 145.27 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.37 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.0 t -91.56 121.13 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.5 mt -83.88 -11.69 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.685 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -77.48 -27.95 52.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -80.21 -22.92 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.047 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.8 mm -62.03 93.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -62.6 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -157.76 163.82 37.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.898 0.38 . . . . 0.0 111.117 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 108' ' ' ILE . 2.1 mp -119.56 121.77 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.733 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -115.11 145.47 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.52 158.05 44.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -70.37 142.69 89.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.69 162.94 40.77 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.559 2.173 . . . . 0.0 112.423 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.92 -12.34 61.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.533 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.72 -0.3 57.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.726 0.298 . . . . 0.0 111.378 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.03 115.37 30.06 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -57.92 -19.21 28.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.7 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -90.6 112.57 24.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -93.04 109.57 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 61.3 mtt -144.46 150.45 37.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.2 128.93 56.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.723 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -114.72 136.8 52.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mp -123.1 129.19 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.47 128.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.096 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.37 -179.24 49.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.439 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -68.27 162.94 23.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 111.041 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 p -97.14 45.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.193 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -74.34 115.71 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -111.37 37.19 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.6 m -61.46 -27.1 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -61.6 -37.12 82.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -104.86 142.46 34.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -70.18 130.28 41.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -85.67 161.62 19.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.45 -80.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.83 -33.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.035 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -119.77 38.15 3.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.97 31.68 55.8 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.759 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -103.74 149.32 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.726 0.298 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 mp0 57.88 31.21 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -64.05 146.19 13.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 m -115.89 88.53 21.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.27 135.02 38.37 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.49 2.126 . . . . 0.0 112.311 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -166.48 59.99 0.57 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.5 142.87 66.9 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.596 2.197 . . . . 0.0 112.347 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -80.95 127.03 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -126.04 149.11 49.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.018 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -116.57 124.69 50.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.8 mtt -95.22 111.07 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -104.2 147.2 27.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.4 t -121.05 135.28 55.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.295 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.0 m-85 -112.03 153.86 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.994 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.16 7.98 25.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.096 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -152.88 123.24 7.15 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 97' ' ' MET . 24.3 ttm105 -59.51 -39.85 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -43.54 92.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.121 0.486 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.3 t -69.97 -33.13 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.624 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.58 -31.18 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.57 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 97' ' ' MET . 52.3 t0 -78.47 -27.66 46.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.34 -31.57 62.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.5 mm -84.29 -43.51 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.785 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.407 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 27.0 ttpp -60.76 -31.67 71.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.4 tpp -80.06 -46.28 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.231 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -63.51 -41.36 98.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.536 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.4 ' CB ' ' CD2' ' A' ' 48' ' ' LEU . 77.5 mt -66.27 -32.88 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -67.71 -32.03 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.86 -41.53 95.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.152 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 34.7 mt -56.61 -45.68 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.401 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 6.4 mm -51.24 -52.81 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.831 0.824 . . . . 0.0 110.338 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -30.98 66.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.013 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -73.94 -33.12 63.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -74.75 -28.81 60.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -74.52 -38.67 62.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.674 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.01 -37.46 76.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.43 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.073 0.464 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.51 156.69 27.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.827 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -70.02 138.88 52.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 111.269 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.34 146.72 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.927 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.0 mt -96.56 143.29 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.119 0.485 . . . . 0.0 111.343 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.531 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -144.43 106.32 4.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.939 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 78.08 49.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt 62.38 12.88 5.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 8' ' ' ILE . 84.0 t -123.93 137.87 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 t -102.09 144.29 30.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.454 0.645 . . . . 0.0 111.851 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.66 -179.97 39.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.311 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.33 128.4 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.157 0.503 . . . . 0.0 111.113 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.841 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.55 121.8 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.852 -179.2 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.55 143.59 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.62 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -100.77 114.91 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.7 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -99.99 109.61 21.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 1.1 pp20? -112.59 -6.51 13.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.948 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.73 -19.67 59.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.675 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.3 -162.07 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.675 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.8 p -165.82 113.41 0.78 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 65.2 Cg_endo -73.44 151.73 97.4 Favored 'Cis proline' 0 C--N 1.347 0.472 0 C-N-CA 123.503 -1.457 . . . . 0.0 112.461 0.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.32 172.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.701 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -155.7 149.37 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.841 HD11 HG23 ' A' ' 16' ' ' ILE . 8.5 tp -100.47 117.42 34.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.482 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 145.49 24.43 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.981 0.419 . . . . 0.0 111.549 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.27 111.49 10.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.638 ' HG2' HG22 ' A' ' 37' ' ' VAL . 50.3 mtp180 -105.62 128.25 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.43 161.78 8.91 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -32.72 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.372 0.606 . . . . 0.0 109.962 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -73.35 -32.81 64.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.992 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 25.44 48.12 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.046 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -109.95 -19.97 12.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.252 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.59 126.27 43.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' A' ' 30' ' ' ARG . 23.5 t -123.83 122.69 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.211 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' TRP . 36.1 t-80 -108.91 142.14 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.5 m -122.46 134.71 54.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.761 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.78 146.1 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.384 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.608 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.2 t -92.44 122.42 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.733 HD13 HD13 ' A' ' 107' ' ' ILE . 11.8 mt -85.7 -11.84 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.511 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.444 ' H ' HG12 ' A' ' 41' ' ' VAL . 7.6 t -80.03 -25.44 40.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.0 110.748 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.608 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.8 t -93.57 15.98 14.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.609 HG13 HD23 ' A' ' 62' ' ' LEU . 34.8 mm -98.84 95.42 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -59.52 -31.33 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.696 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -163.43 171.0 16.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.851 HD21 ' HG2' ' A' ' 105' ' ' GLN . 3.3 pp -127.32 115.3 18.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -103.06 146.63 28.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.79 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -141.63 157.95 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 59' ' ' MET . 76.8 p -70.55 148.92 95.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.45 161.74 44.69 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.622 2.215 . . . . 0.0 112.384 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.8 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.516 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m -89.63 0.19 57.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.3 m -106.97 113.29 26.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.653 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.01 -18.79 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -89.01 115.96 26.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.408 ' HE2' ' N ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -90.77 115.74 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.674 ' O ' HG23 ' A' ' 51' ' ' THR . 70.5 mtp -151.01 133.15 15.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.019 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.79 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -115.39 119.85 37.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.722 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -105.27 138.11 41.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.609 HD23 HG13 ' A' ' 45' ' ' ILE . 1.6 mp -117.29 127.52 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.1 mm -81.6 119.12 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.593 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.861 0.362 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -110.75 109.48 19.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.2 ttp -97.01 124.0 40.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -111.12 153.82 25.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.535 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -117.83 119.58 35.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.351 179.594 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.441 ' CG ' ' HB3' ' A' ' 97' ' ' MET . 27.8 m-85 -98.81 135.09 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.577 ' OD1' HD11 ' A' ' 8' ' ' ILE . 29.9 m120 -97.96 12.17 35.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.266 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.559 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.6 m120 -151.44 122.73 7.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.572 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 59.6 ttm-85 -61.06 -45.46 94.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.645 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -34.78 78.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 121.164 0.507 . . . . 0.0 110.742 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 93' ' ' ASN . 92.3 t -70.61 -38.33 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.572 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 20.4 ptm -72.97 -33.22 65.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.362 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.21 -29.73 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -72.16 -32.63 67.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.65 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.4 mm -86.14 -43.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HB2' HD11 ' A' ' 60' ' ' LEU . 31.4 ttmt -53.5 -51.27 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.354 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtt -67.11 -33.51 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.226 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -38.44 66.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.62 ' CD2' HD11 ' A' ' 18' ' ' ILE . 69.0 mt -67.77 -32.81 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.851 ' HG2' HD21 ' A' ' 48' ' ' LEU . 89.3 mt-30 -66.95 -32.97 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -65.1 -41.88 94.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 42' ' ' LEU . 85.4 mt -57.51 -43.08 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.528 HG13 HD23 ' A' ' 48' ' ' LEU . 5.0 mm -53.01 -52.5 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.822 0.82 . . . . 0.0 110.341 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 m -55.58 -31.18 61.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.17 -1.377 . . . . 0.0 111.175 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -71.58 -32.68 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 24.0 m-85 -71.61 -28.54 63.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.677 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -70.17 -33.91 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.79 -37.67 79.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.29 72.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.865 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.6 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.02 0.438 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.07 147.58 16.79 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.937 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.63 138.52 58.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 111.371 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.43 148.03 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.715 HD12 ' HB3' ' A' ' 90' ' ' SER . 29.7 mt -96.5 143.18 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.143 0.496 . . . . 0.0 111.409 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.1 t80 -144.66 106.34 4.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.934 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.2 mt-10 78.01 49.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.21 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt 62.55 12.8 5.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 8' ' ' ILE . 86.1 t -124.12 138.68 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 26.0 t -101.53 144.81 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 0.0 111.911 -178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.05 -179.98 39.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.37 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.63 126.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.209 0.528 . . . . 0.0 111.234 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.652 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.61 119.72 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.586 -179.594 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.59 142.52 46.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -106.42 108.59 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.65 109.75 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.97 -14.9 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.09 -24.66 10.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.927 0.394 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.94 154.06 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.835 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -138.65 107.79 7.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 14.5 Cg_exo -68.97 150.09 87.61 Favored 'Cis proline' 0 C--N 1.347 0.487 0 C-N-CA 123.561 -1.433 . . . . 0.0 112.36 0.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 172.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -156.17 155.78 33.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.894 0.378 . . . . 0.0 111.346 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD21 HG23 ' A' ' 16' ' ' ILE . 9.8 tt -113.35 116.93 30.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.511 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.29 147.32 25.58 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 121.104 0.478 . . . . 0.0 111.948 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.4 t90 -132.69 110.57 10.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.573 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.704 ' HG2' HG22 ' A' ' 37' ' ' VAL . 81.8 mtm180 -104.74 127.15 52.42 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -61.43 160.13 11.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.77 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -32.39 70.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.492 0.663 . . . . 0.0 110.116 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -72.22 -32.73 67.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.082 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.48 24.64 50.03 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.983 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.32 -19.74 12.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -124.92 126.32 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.731 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 ' HG2' ' A' ' 30' ' ' ARG . 38.6 t -124.93 120.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' TRP . 20.1 t-80 -108.83 142.26 39.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.372 0.606 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 m -114.94 130.28 56.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.564 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 21.3 t -110.03 136.26 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 43' ' ' SER . 23.9 t -92.23 125.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.1 HD13 HD13 ' A' ' 107' ' ' ILE . 11.4 mt -88.04 -11.7 46.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.794 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.484 ' H ' HG12 ' A' ' 41' ' ' VAL . 5.3 t -79.21 -29.33 42.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.842 0.354 . . . . 0.0 110.627 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -81.7 -20.41 39.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.641 HG13 HD23 ' A' ' 62' ' ' LEU . 31.0 mm -66.43 97.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.9 -28.82 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.606 ' CG ' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -163.31 169.2 19.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 108' ' ' ILE . 1.2 pt? -142.49 135.09 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -130.79 162.71 28.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB3' ' HE2' ' A' ' 101' ' ' LYS . . . -141.51 162.33 35.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 59' ' ' MET . 7.0 p -70.46 147.55 94.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.04 160.2 48.4 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.507 2.138 . . . . 0.0 112.422 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.66 -11.48 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -89.8 -1.09 57.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.378 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -105.11 113.92 27.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.6 -18.7 32.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.752 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -92.53 125.74 37.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -94.86 121.0 36.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.561 ' C ' HD12 ' A' ' 60' ' ' LEU . 42.2 ttm -151.12 127.93 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 91' ' ' PHE . 7.8 mp -115.18 118.58 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.688 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -102.93 139.96 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.641 HD23 HG13 ' A' ' 45' ' ' ILE . 1.2 mp -125.01 125.04 43.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.606 HD13 ' CG ' ' A' ' 47' ' ' LYS . 4.8 mp -98.28 135.76 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.548 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.861 0.362 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.87 115.75 26.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.8 mtm -101.37 113.08 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -103.09 142.68 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.715 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -113.66 125.72 54.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.433 179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.703 ' CD1' HD13 ' A' ' 60' ' ' LEU . 32.8 m-85 -104.1 139.77 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.106 0.479 . . . . 0.0 111.873 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -99.68 9.39 43.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.305 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -152.43 125.82 8.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 97' ' ' MET . 4.6 tmm_? -60.7 -42.63 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -42.08 96.56 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.39 -32.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.718 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -76.97 -31.64 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 97' ' ' MET . 89.3 m-20 -81.7 -26.81 34.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.56 -30.95 61.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.03 -41.47 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -51.36 -42.4 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.469 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -68.64 -46.16 69.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 111.468 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -43.58 93.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.559 ' CD2' HD11 ' A' ' 18' ' ' ILE . 90.1 mt -64.37 -37.4 87.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HA ' HD11 ' A' ' 48' ' ' LEU . 91.4 mt-30 -67.78 -33.32 74.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.78 -39.89 87.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 1.1 HD13 HD13 ' A' ' 42' ' ' LEU . 80.3 mt -59.14 -42.95 88.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.117 0.484 . . . . 0.0 109.866 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.596 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -52.5 -52.55 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.756 0.789 . . . . 0.0 110.216 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.6 m -55.12 -31.26 61.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -72.28 -32.74 66.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.69 -32.53 63.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.582 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -73.59 -34.94 65.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.84 -39.37 88.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.61 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.899 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.955 0.407 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.64 154.16 25.21 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.86 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.86 138.37 57.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.377 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.647 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -153.17 148.34 26.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.736 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.2 mt -96.53 143.18 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 111.377 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -145.3 106.32 4.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.939 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.89 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.275 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp 62.01 14.06 6.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.7 t -125.3 140.0 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -102.74 146.38 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.596 . . . . 0.0 111.841 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.02 -179.95 40.37 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.405 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.01 127.54 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.3 0.571 . . . . 0.0 111.159 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.68 119.16 49.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.608 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.39 143.58 44.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -99.81 114.31 37.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.912 0.387 . . . . 0.0 110.673 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -103.72 109.73 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 96.0 mt-10 -109.56 -6.81 15.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.05 -20.17 56.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.62 -162.05 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.682 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.4 p -166.5 113.38 0.72 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 59.9 Cg_endo -72.19 152.18 96.86 Favored 'Cis proline' 0 C--N 1.347 0.451 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.39 0.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.15 156.45 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.63 150.2 43.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.9 tt -107.32 116.78 32.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.484 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.04 147.29 25.76 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.835 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -133.1 110.28 10.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.547 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.49 ' HG3' HG22 ' A' ' 37' ' ' VAL . 59.5 ttt85 -104.75 126.79 52.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 t -60.26 160.25 8.71 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.808 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 -32.01 70.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.378 0.609 . . . . 0.0 110.022 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -70.69 -33.03 70.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.97 48.16 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.997 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.58 -19.74 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.728 0.299 . . . . 0.0 111.335 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -124.67 126.76 46.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.742 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.49 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.9 t -126.58 121.77 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.061 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 29' ' ' TRP . 14.9 t-80 -108.92 142.24 39.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 m -114.27 131.39 56.52 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.657 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 32.8 t -110.64 138.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.861 ' O ' HG22 ' A' ' 44' ' ' THR . 22.2 t -92.64 111.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 107' ' ' ILE . 23.8 mt -71.27 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.617 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.44 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -76.94 -29.31 55.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.861 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -78.61 -25.06 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 62' ' ' LEU . 29.9 mm -70.73 102.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -87.27 -23.64 24.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -148.86 162.59 39.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 HG13 ' A' ' 108' ' ' ILE . 1.4 pp -134.09 115.61 14.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -113.13 124.62 53.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -115.48 162.34 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 59' ' ' MET . 54.4 p -70.35 149.65 95.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.49 152.63 80.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.648 2.232 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -16.3 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.531 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.5 m -89.75 -0.3 57.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.316 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -107.0 113.41 26.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.366 . . . . 0.0 110.731 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.8 -18.83 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -76.54 115.01 15.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -94.01 106.1 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.685 ' O ' HG23 ' A' ' 51' ' ' THR . 50.6 mtt -151.11 138.7 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.542 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 24.9 tp -115.39 127.91 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.778 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.618 ' HE ' HD11 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -109.34 133.8 52.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 45' ' ' ILE . 2.7 mp -120.38 129.96 54.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.618 HD11 ' HE ' ' A' ' 61' ' ' ARG . 14.7 mm -101.39 138.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.198 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.824 0.345 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -114.69 111.95 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.7 mtm -91.88 118.01 30.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -112.82 156.96 21.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.598 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -126.66 119.97 28.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.485 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CG ' ' HB3' ' A' ' 97' ' ' MET . 27.4 m-85 -98.32 138.54 35.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.059 0.457 . . . . 0.0 111.792 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.496 ' OD1' HD11 ' A' ' 8' ' ' ILE . 27.9 m120 -100.11 12.77 36.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.387 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.537 ' HB3' HG23 ' A' ' 96' ' ' VAL . 19.5 m-80 -152.92 128.23 9.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.354 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.549 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 62.0 ttp180 -63.2 -45.2 92.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -34.75 78.63 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.136 0.493 . . . . 0.0 110.731 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 93' ' ' ASN . 86.4 t -70.58 -38.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.859 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 23.1 ptm -73.65 -34.16 64.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.404 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -76.0 -29.46 58.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -71.95 -33.5 68.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.698 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.4 mm -86.23 -43.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 23.8 ttpp -53.6 -35.19 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.297 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.0 -49.84 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.04 0.448 . . . . 0.0 111.156 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -38.25 87.12 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.665 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.622 HD21 HD12 ' A' ' 27' ' ' LEU . 48.2 mt -67.09 -35.77 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.585 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.43 ' HA ' HG12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -68.84 -33.96 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 110.577 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.3 -39.53 89.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.129 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 1.013 HD13 HD13 ' A' ' 42' ' ' LEU . 76.3 mt -58.45 -44.39 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.788 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.623 HG13 HD23 ' A' ' 48' ' ' LEU . 4.8 mm -52.0 -52.46 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-O 121.82 0.819 . . . . 0.0 110.297 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.1 m -53.74 -29.59 40.32 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.24 -1.345 . . . . 0.0 111.271 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -71.77 -34.88 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 53.1 m-85 -71.83 -31.25 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.726 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -73.85 -39.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.762 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.12 -37.32 76.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.95 -32.71 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.802 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.43 ' O ' HD11 ' A' ' 100' ' ' ILE . 16.3 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.937 0.398 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.22 142.85 3.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.073 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.33 138.76 58.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.995 0.426 . . . . 0.0 111.415 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.655 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.42 146.84 22.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.692 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.5 mt -96.56 143.1 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.08 0.467 . . . . 0.0 111.203 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.2 t80 -144.39 106.25 4.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.945 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.18 49.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 62.15 12.86 5.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 8' ' ' ILE . 94.7 t -123.7 137.71 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -101.79 143.97 31.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.846 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.73 -179.92 39.06 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.302 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.85 127.58 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.69 117.87 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.536 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.42 142.7 41.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.687 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -107.18 117.02 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -110.35 109.63 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -108.76 -1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.871 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.27 -19.48 65.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.268 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.69 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -94.26 -162.05 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.855 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.69 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.48 112.86 0.81 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.17 150.54 95.72 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.759 -1.35 . . . . 0.0 112.402 0.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.26 170.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.622 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.75 160.89 39.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.932 0.396 . . . . 0.0 111.489 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.607 HD21 HG23 ' A' ' 16' ' ' ILE . 9.3 tt -119.88 113.91 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.408 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.12 147.27 25.71 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.824 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.0 t90 -132.12 109.96 10.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.622 ' HG2' HG22 ' A' ' 37' ' ' VAL . 30.6 mtm105 -104.92 127.56 52.81 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.1 p -60.54 161.44 7.6 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.735 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.19 -32.55 71.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.384 0.611 . . . . 0.0 109.992 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -73.55 -32.69 64.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.5 25.47 46.9 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.056 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -109.43 -20.98 12.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -125.67 126.91 45.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 ' HG2' ' A' ' 30' ' ' ARG . 23.0 t -124.85 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' TRP . 27.9 t-80 -108.9 142.29 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.222 0.534 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 m -115.28 132.3 56.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.853 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 22.4 t -114.82 139.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.235 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 43' ' ' SER . 25.0 t -92.45 123.99 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.908 HD13 HD13 ' A' ' 107' ' ' ILE . 16.9 mt -88.01 -11.66 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.643 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.439 ' H ' HG12 ' A' ' 41' ' ' VAL . 78.7 p -79.24 -28.67 42.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -82.47 -20.57 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.761 HG13 HD23 ' A' ' 62' ' ' LEU . 34.6 mm -64.81 94.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -63.36 -29.84 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.69 166.1 29.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.816 HD11 ' HG2' ' A' ' 105' ' ' GLN . 2.5 pt? -131.36 128.38 39.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -125.28 152.18 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.044 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -140.0 164.62 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.064 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.722 HG21 ' O ' ' A' ' 57' ' ' LYS . 7.1 p -70.35 146.52 94.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 159.08 54.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.547 2.165 . . . . 0.0 112.441 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.0 -17.46 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.412 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.15 57.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.382 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -107.02 112.61 25.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.0 110.616 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -56.86 -19.29 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.828 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.722 ' O ' HG21 ' A' ' 51' ' ' THR . 33.3 mttm -85.89 91.57 8.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 ptp -78.98 104.56 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.778 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 56.3 mtt -145.44 143.07 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.044 HD12 ' HB2' ' A' ' 50' ' ' ALA . 10.1 tp -115.35 124.4 51.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -112.71 136.69 52.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.761 HD23 HG13 ' A' ' 45' ' ' ILE . 2.3 mp -118.24 128.68 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.603 HG23 ' HG2' ' A' ' 86' ' ' ARG . 3.6 mp -94.78 133.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.154 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG2' HG23 ' A' ' 63' ' ' ILE . 92.7 mtt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -105.64 111.76 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -97.78 112.71 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -106.89 150.37 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.9 t -120.89 125.94 48.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.8 m-85 -99.71 137.27 38.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 111.804 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.84 6.52 48.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.369 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -150.49 123.07 8.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 61.6 ttp180 -62.66 -30.87 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.92 -46.67 51.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.166 0.508 . . . . 0.0 110.11 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.88 -29.71 45.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.689 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.454 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.22 -32.31 61.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.583 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.1 t0 -74.65 -28.99 61.09 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -72.4 -30.39 64.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.582 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.3 mm -86.08 -43.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.464 ' HD2' ' HB3' ' A' ' 50' ' ' ALA . 24.0 ttpp -58.42 -34.99 71.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.6 mtm -82.1 -43.7 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.953 0.406 . . . . 0.0 111.38 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.4 t -65.49 -39.98 92.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.687 ' CD2' HD11 ' A' ' 18' ' ' ILE . 26.3 mt -66.39 -31.99 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.89 -32.79 74.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.727 179.799 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.87 -42.13 95.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.304 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.908 HD13 HD13 ' A' ' 42' ' ' LEU . 82.5 mt -57.23 -43.36 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.897 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.72 HG13 HD22 ' A' ' 48' ' ' LEU . 6.6 mm -52.62 -52.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 CA-C-O 121.732 0.777 . . . . 0.0 110.125 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -56.24 -31.33 63.44 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.328 -1.306 . . . . 0.0 111.131 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.69 -32.64 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 17.5 m-85 -73.94 -28.63 61.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -32.02 65.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.708 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.08 -37.31 76.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.01 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.924 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.049 0.452 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.39 164.8 36.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.678 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -68.47 137.87 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.089 0.471 . . . . 0.0 111.305 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.638 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.32 147.31 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.736 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 90' ' ' SER . 29.6 mt -96.5 143.08 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 111.432 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.6 t80 -144.46 106.34 4.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.908 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.04 49.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 62.36 12.97 5.64 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 8' ' ' ILE . 87.1 t -124.13 138.31 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -101.89 144.99 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.374 0.607 . . . . 0.0 111.895 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.01 -179.94 39.82 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.288 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.25 127.69 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.573 . . . . 0.0 111.161 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.658 HG23 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.51 116.24 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.297 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.42 142.98 39.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -103.55 113.64 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -103.82 109.73 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.5 -5.36 15.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.906 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.48 -19.88 64.0 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.351 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.56 -161.97 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 110.71 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.678 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.77 113.11 0.69 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' CB ' ' HB3' ' A' ' 43' ' ' SER . 8.3 Cg_exo -72.3 151.66 96.46 Favored 'Cis proline' 0 C--N 1.347 0.45 0 C-N-CA 123.779 -1.342 . . . . 0.0 112.319 -0.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.38 169.88 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.662 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -154.54 152.85 30.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 111.359 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.749 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.7 tt -111.51 114.25 27.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.596 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.39 147.29 25.51 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.764 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -131.48 109.95 10.65 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.46 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.816 ' HG3' HG22 ' A' ' 37' ' ' VAL . 10.8 ttt180 -104.1 127.84 51.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.6 p -62.44 160.2 14.03 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.745 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -31.96 71.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.414 0.626 . . . . 0.0 110.079 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -71.37 -32.35 68.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.1 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.87 24.29 49.67 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.077 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.92 -20.11 11.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.722 0.296 . . . . 0.0 111.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 126.29 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.816 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.3 t -126.61 119.01 52.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' TRP . 29.2 t-80 -109.08 142.34 39.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.229 0.538 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -114.86 130.75 56.94 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.761 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -114.4 141.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.363 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG22 ' A' ' 44' ' ' THR . 18.0 t -92.62 122.84 44.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.749 HD21 ' HB2' ' A' ' 27' ' ' LEU . 28.2 mt -88.15 -11.69 46.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.591 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.41 ' HB3' ' CB ' ' A' ' 24' ' ' PRO . 60.6 p -80.24 -28.84 38.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.801 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.4 t -81.45 -21.77 38.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.686 HG13 HD23 ' A' ' 62' ' ' LEU . 31.2 mm -62.39 94.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.26 -29.7 70.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.022 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -157.79 169.68 24.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -127.61 128.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -125.63 152.62 44.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.55 164.48 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 59' ' ' MET . 1.0 OUTLIER -70.56 151.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.79 155.58 69.34 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.41 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -12.76 61.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.522 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 m -89.84 0.42 57.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.285 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -107.14 114.18 28.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.926 0.394 . . . . 0.0 110.627 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.84 -18.98 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.97 115.65 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.811 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.576 ' HE3' ' HG3' ' A' ' 94' ' ' ARG . 3.2 mpp? -87.82 124.85 34.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.508 ' HB2' HG23 ' A' ' 51' ' ' THR . 71.4 mtp -151.02 140.3 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 50' ' ' ALA . 12.4 tp -115.35 125.84 53.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.793 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -109.08 129.76 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.686 HD23 HG13 ' A' ' 45' ' ' ILE . 2.9 mp -117.89 130.55 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 63' ' ' ILE . 2.8 mp -106.48 132.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.2 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.765 0.317 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -105.32 116.43 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.414 ' HB3' ' HE3' ' A' ' 88' ' ' MET . 3.4 tmm? -92.8 120.02 32.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 78.5 m-85 -113.86 159.06 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.719 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -126.47 121.04 31.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.528 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 96' ' ' VAL . 29.7 m-85 -100.97 143.41 31.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 111.712 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -100.63 9.24 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.496 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -156.86 130.65 8.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 111.36 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.576 ' HG3' ' HE3' ' A' ' 58' ' ' MET . 95.9 mtt180 -60.72 -40.6 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.673 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.079 0.466 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.481 HG12 ' CE2' ' A' ' 91' ' ' PHE . 62.9 t -72.41 -33.6 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.613 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.442 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -78.52 -30.6 47.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.541 179.641 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -84.31 -25.64 29.11 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -74.01 -32.45 63.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.7 mm -84.27 -43.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.761 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.522 ' HB2' HD13 ' A' ' 60' ' ' LEU . 18.7 ttpp -59.15 -32.81 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.3 tpp -77.89 -48.07 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 t -63.79 -39.91 95.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.316 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.549 ' CD2' HD11 ' A' ' 18' ' ' ILE . 34.9 mt -65.5 -32.72 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.421 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -66.4 -33.47 75.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.43 -41.55 96.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.735 HD13 HD13 ' A' ' 42' ' ' LEU . 79.4 mt -57.15 -43.9 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.827 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.466 HD11 HD13 ' A' ' 48' ' ' LEU . 7.0 mm -52.29 -52.27 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.758 0.79 . . . . 0.0 110.196 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -53.93 -30.02 44.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.253 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -36.59 69.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -74.54 -30.47 61.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -76.18 -31.2 58.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.97 -37.25 76.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.77 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 53.5 t0 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.64 ' O ' HD11 ' A' ' 100' ' ' ILE . 21.8 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.967 0.413 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.14 150.26 5.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.054 -0.594 . . . . 0.0 111.985 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.27 139.8 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.937 0.399 . . . . 0.0 111.305 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.628 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.77 148.11 20.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.806 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.721 HD12 ' HB2' ' A' ' 90' ' ' SER . 29.2 mt -96.49 143.31 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.084 0.468 . . . . 0.0 111.338 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.71 106.36 4.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.018 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 77.87 49.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.255 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt 62.02 14.17 6.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.1 t -125.33 139.98 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.2 m -102.28 147.71 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.393 0.616 . . . . 0.0 111.84 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -168.52 -179.85 41.07 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.69 128.0 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.291 0.567 . . . . 0.0 111.156 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.944 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.52 120.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.634 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -118.5 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 27' ' ' LEU . 1.2 mt -105.87 108.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -98.34 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -90.81 -16.32 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -53.03 -24.32 9.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.596 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.57 154.03 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.874 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.33 107.49 7.27 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 16.7 Cg_exo -67.66 150.11 83.69 Favored 'Cis proline' 0 C--N 1.347 0.463 0 C-N-CA 123.582 -1.424 . . . . 0.0 112.468 0.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.46 172.18 0.1 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.994 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.85 161.11 42.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.747 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.944 HD11 HG23 ' A' ' 16' ' ' ILE . 19.2 tp -116.99 115.05 24.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.379 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 146.97 23.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.101 0.477 . . . . 0.0 111.999 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -134.15 110.0 9.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.466 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.6 ttt85 -103.18 126.54 50.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -60.54 161.49 7.54 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.004 0.43 . . . . 0.0 110.783 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -32.16 71.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.988 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.37 -33.26 71.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.01 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.34 25.41 47.78 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.009 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -114.1 -19.02 11.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.714 0.292 . . . . 0.0 111.424 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -126.0 127.51 46.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.65 122.2 61.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' TRP . 20.7 t-80 -108.79 142.27 39.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -118.4 133.57 55.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 t -117.84 143.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 43' ' ' SER . 18.3 t -90.49 124.1 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 107' ' ' ILE . 20.2 mt -88.04 -11.73 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.661 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.449 ' H ' HG12 ' A' ' 41' ' ' VAL . 6.2 t -79.97 -30.18 39.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.77 0.319 . . . . 0.0 110.739 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.434 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.2 t -79.46 -24.01 42.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.717 HG13 HD23 ' A' ' 62' ' ' LEU . 31.7 mm -59.84 93.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.74 -30.9 69.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -160.27 166.65 29.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 104' ' ' LEU . 9.5 mp -117.37 134.89 54.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.763 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -127.95 143.89 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.53 156.28 45.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 p -73.12 153.27 90.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.36 157.36 62.16 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.5 -11.77 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.577 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -89.74 -0.03 57.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.363 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 61.8 m -107.07 113.91 27.65 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.876 0.37 . . . . 0.0 110.658 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.04 -18.86 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 100.46 13.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtm -78.69 120.57 23.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 76.9 mtp -151.04 136.68 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 50' ' ' ALA . 17.4 tp -115.29 117.34 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -103.91 131.55 51.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.035 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.717 HD23 HG13 ' A' ' 45' ' ' ILE . 2.7 mp -116.3 129.44 56.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.688 HG23 ' HG2' ' A' ' 86' ' ' ARG . 3.9 mp -104.84 129.76 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.337 179.915 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.688 ' HG2' HG23 ' A' ' 63' ' ' ILE . 91.4 mtt180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.888 0.375 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -115.9 121.21 41.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -103.25 122.73 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -114.4 157.44 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.721 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -124.16 121.05 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.9 m-85 -99.66 140.65 33.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 0.0 111.853 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.642 ' OD1' HD11 ' A' ' 8' ' ' ILE . 87.2 m-20 -101.97 12.5 36.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.4 m120 -153.43 131.38 11.74 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.931 0.396 . . . . 0.0 111.277 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.572 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 87.5 mtt180 -65.96 -48.29 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -34.66 78.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 110.715 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' HB3' ' A' ' 93' ' ' ASN . 93.0 t -70.46 -38.64 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.955 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.572 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 16.8 ptm -73.16 -32.76 65.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.507 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -74.89 -29.41 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.85 -33.16 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.64 HD11 ' O ' ' A' ' 4' ' ' SER . 39.0 mm -86.17 -43.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.967 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -59.4 -33.42 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -79.67 -42.99 23.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.411 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.482 HG23 HD13 ' A' ' 18' ' ' ILE . 1.3 t -66.19 -38.62 88.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.875 ' HB3' HD21 ' A' ' 48' ' ' LEU . 72.3 mt -67.05 -34.42 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HA ' HG12 ' A' ' 108' ' ' ILE . 36.8 mt-30 -66.91 -32.54 73.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.52 -40.69 93.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.848 HD13 HD13 ' A' ' 42' ' ' LEU . 55.5 mt -58.17 -43.36 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.173 0.511 . . . . 0.0 109.819 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.499 HD11 HD11 ' A' ' 48' ' ' LEU . 6.8 mm -52.54 -52.24 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.848 0.832 . . . . 0.0 110.215 178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.7 m -53.39 -30.02 37.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.243 -1.344 . . . . 0.0 111.277 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -71.29 -33.92 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -74.62 -31.87 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.69 -31.78 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.833 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.69 -38.09 80.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.15 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.949 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.874 0.369 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.95 155.45 26.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.899 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 138.22 56.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.45 . . . . 0.0 111.393 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.634 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -153.05 147.42 25.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.673 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.3 mt -96.43 143.19 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.117 0.484 . . . . 0.0 111.319 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.36 106.34 4.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.4 mt-10 77.96 49.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.295 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 62.18 13.81 6.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 8' ' ' ILE . 89.0 t -124.71 139.6 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -102.83 145.77 29.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.43 0.633 . . . . 0.0 111.792 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.34 -179.93 39.99 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.528 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.68 126.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 111.045 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.6 119.07 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.679 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.5 143.33 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.605 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -102.77 118.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.741 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -108.25 109.67 21.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -110.6 -5.98 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -61.53 -19.65 62.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.687 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -96.71 -161.9 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 120.808 0.337 . . . . 0.0 110.817 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.687 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.0 p -166.2 113.14 0.74 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.15 151.37 96.99 Favored 'Cis proline' 0 C--N 1.347 0.486 0 C-N-CA 123.494 -1.461 . . . . 0.0 112.53 0.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.39 170.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.637 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -156.85 146.64 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.508 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.1 tt -106.97 114.12 28.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.399 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.25 25.84 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.026 0.441 . . . . 0.0 111.797 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.2 t90 -131.89 109.99 10.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.416 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HG3' HG22 ' A' ' 37' ' ' VAL . 60.7 ttp180 -104.38 127.08 51.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.0 p -60.46 160.74 8.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.987 0.422 . . . . 0.0 110.902 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.0 -31.87 71.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.415 0.626 . . . . 0.0 110.035 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.52 -33.15 70.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.66 25.16 47.47 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.127 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -113.1 -19.86 11.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.704 0.288 . . . . 0.0 111.224 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -124.75 132.64 53.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.8 t -130.8 121.75 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' TRP . 26.9 t-80 -108.87 142.42 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.6 m -114.45 136.17 53.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 29.5 t -119.7 141.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.217 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.484 ' HB ' HG22 ' A' ' 44' ' ' THR . 13.8 t -91.64 122.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 107' ' ' ILE . 24.6 mt -88.14 -11.87 45.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.692 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 72.3 p -80.61 -29.0 36.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.484 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.8 t -80.58 -23.57 39.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.744 HG13 HD23 ' A' ' 62' ' ' LEU . 36.6 mm -58.76 92.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.0 -32.43 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -161.36 171.11 18.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.72 HD11 ' HG3' ' A' ' 105' ' ' GLN . 0.6 OUTLIER -123.7 138.19 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -128.5 109.58 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -108.66 152.48 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 59' ' ' MET . 20.4 p -70.66 146.79 94.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.54 158.38 53.92 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.559 2.172 . . . . 0.0 112.447 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -13.99 62.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.454 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 t -89.78 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.344 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -106.85 112.9 26.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.825 0.345 . . . . 0.0 110.723 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.21 -19.19 19.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -89.82 97.54 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ptp -81.58 112.41 18.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.452 ' O ' HG23 ' A' ' 51' ' ' THR . 60.8 mtt -146.56 144.24 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -115.32 121.96 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.549 ' N ' HD13 ' A' ' 60' ' ' LEU . 41.4 ttm180 -113.79 134.53 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.744 HD23 HG13 ' A' ' 45' ' ' ILE . 2.3 mp -125.01 128.41 48.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 63' ' ' ILE . 3.1 mp -101.52 134.72 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.576 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.924 0.392 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -106.5 120.94 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.3 ttp -99.95 118.74 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.747 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.64 155.32 22.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 m -124.23 123.04 39.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.393 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.2 m-85 -99.03 146.01 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 111.639 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.645 ' OD1' HD11 ' A' ' 8' ' ' ILE . 96.7 m-20 -102.8 10.41 38.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -157.67 129.58 7.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 111.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 97' ' ' MET . 92.1 mtm-85 -61.46 -40.08 93.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.761 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -44.06 91.8 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.154 0.502 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.9 t -69.96 -33.32 54.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.637 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.444 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -76.68 -31.06 57.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.508 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 97' ' ' MET . 23.0 t70 -80.63 -26.69 37.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -73.53 -28.98 62.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.807 HG22 HD12 ' A' ' 104' ' ' LEU . 33.0 mm -86.05 -41.64 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -56.53 -33.59 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.2 mmm -81.98 -47.84 12.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.517 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.5 t -61.11 -44.71 96.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.658 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.807 HD12 HG22 ' A' ' 100' ' ' ILE . 16.3 mt -64.5 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.404 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.72 ' HG3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.94 -34.41 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.691 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -63.96 -41.82 97.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.363 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.81 HD13 HD13 ' A' ' 42' ' ' LEU . 79.7 mt -57.17 -43.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.534 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -53.13 -52.48 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.809 0.814 . . . . 0.0 110.289 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -55.24 -31.13 61.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.201 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -71.43 -33.13 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 29.0 m-85 -71.31 -28.91 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.648 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.49 -39.64 74.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.725 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.18 -37.33 77.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.77 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.938 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.985 0.421 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.65 148.49 17.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.975 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.79 139.13 58.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 0.0 111.302 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.65 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.36 147.41 20.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.892 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.1 mt -96.49 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.06 0.457 . . . . 0.0 111.237 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.0 t80 -144.37 106.35 4.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.055 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.5 mt-10 78.09 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.216 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? 62.39 12.91 5.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 8' ' ' ILE . 95.9 t -123.73 137.84 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -101.62 143.59 31.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 0.0 111.786 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.58 -179.94 38.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.339 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.63 127.41 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 0.0 111.243 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.65 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.46 117.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.387 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.78 142.57 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.649 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -108.09 108.8 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.67 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -108.56 109.81 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 96.2 mt-10 -92.59 -15.21 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.19 -23.53 14.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.81 0.338 . . . . 0.0 110.702 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.39 154.39 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.0 107.79 8.9 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.742 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.413 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 58.2 Cg_endo -71.33 148.64 90.44 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.543 -1.44 . . . . 0.0 112.443 0.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -54.51 168.46 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.2 154.04 28.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.558 HD21 HG23 ' A' ' 16' ' ' ILE . 9.1 tt -109.93 118.2 35.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.25 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.46 147.17 25.52 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.005 0.431 . . . . 0.0 111.951 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -132.5 109.99 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.386 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.703 ' HG2' HG22 ' A' ' 37' ' ' VAL . 86.8 mtm-85 -104.28 127.6 51.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.071 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.08 159.8 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.73 -32.31 70.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.439 0.638 . . . . 0.0 110.026 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -72.69 -32.63 65.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.8 25.22 46.61 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -111.43 -21.02 12.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -123.26 126.26 46.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.698 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG22 ' HG2' ' A' ' 30' ' ' ARG . 39.6 t -124.93 120.64 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 29' ' ' TRP . 34.5 t-80 -109.02 142.36 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.4 m -115.72 132.12 56.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.725 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.83 139.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.259 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.621 ' HB ' HG22 ' A' ' 44' ' ' THR . 21.8 t -93.72 122.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.008 HD13 HD13 ' A' ' 107' ' ' ILE . 20.8 mt -86.58 -11.86 50.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.469 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 8.3 t -79.82 -25.59 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.667 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.4 t -93.7 16.54 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.681 HG13 HD23 ' A' ' 62' ' ' LEU . 32.6 mm -100.91 93.24 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.876 0.369 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.634 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -162.45 170.16 19.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.713 HD21 ' HG2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -123.06 133.69 54.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.775 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.643 ' O ' HD12 ' A' ' 60' ' ' LEU . 15.8 mp0 -123.22 150.47 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.56 160.67 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 p -70.42 150.67 95.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.81 155.01 71.55 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.6 2.2 . . . . 0.0 112.372 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.99 62.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.552 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -0.36 57.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.371 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 m -106.96 112.9 26.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.665 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.89 -19.29 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -90.06 96.42 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 ptp -77.94 114.23 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.4 mtt -142.89 141.15 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 49' ' ' GLN . 17.7 tp -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -115.94 129.83 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.681 HD23 HG13 ' A' ' 45' ' ' ILE . 2.5 mp -111.6 130.6 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 mm -79.5 126.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.618 -179.91 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.872 0.368 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -99.6 109.52 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.0 ttp -102.14 122.72 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.26 153.67 25.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.576 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -115.99 117.99 31.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.385 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.0 m-85 -97.63 137.01 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.441 . . . . 0.0 111.749 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.683 ' OD1' HD11 ' A' ' 8' ' ' ILE . 90.3 m-20 -97.15 9.77 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.415 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.475 ' ND2' HG23 ' A' ' 96' ' ' VAL . 39.7 t-20 -155.23 125.34 6.67 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.943 0.402 . . . . 0.0 111.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 97' ' ' MET . 59.6 ttp180 -60.9 -40.38 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.653 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -42.7 95.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.475 HG23 ' ND2' ' A' ' 93' ' ' ASN . 59.7 t -70.49 -33.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.541 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.541 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.7 t0 -78.21 -28.22 47.96 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.752 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.4 -32.14 66.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.742 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.602 ' HA ' HG22 ' A' ' 103' ' ' THR . 27.2 mm -86.05 -44.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.982 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.405 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 24.1 ttpp -57.64 -36.5 71.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.211 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.5 mtm -81.19 -40.51 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.347 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.4 t -69.24 -32.05 71.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.606 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.649 ' CD2' HD11 ' A' ' 18' ' ' ILE . 30.5 mt -70.52 -29.5 66.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.385 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.713 ' HG2' HD21 ' A' ' 48' ' ' LEU . 83.8 mt-30 -67.16 -32.42 73.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.73 -39.76 91.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 1.008 HD13 HD13 ' A' ' 42' ' ' LEU . 78.5 mt -59.26 -43.36 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.207 0.527 . . . . 0.0 109.908 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 105' ' ' GLN . 6.6 mm -52.13 -52.63 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.734 0.778 . . . . 0.0 110.061 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -56.43 -29.84 62.1 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -71.82 -33.61 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 25.7 m-85 -70.99 -29.11 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -70.34 -39.72 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.724 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.14 -36.91 76.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.32 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.995 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.021 0.439 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.67 151.86 22.91 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.898 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.93 139.57 58.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.981 0.42 . . . . 0.0 111.261 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.661 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.84 148.34 20.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.775 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 12' ' ' VAL . 27.4 mt -96.59 143.21 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.115 0.483 . . . . 0.0 111.405 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.528 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.68 106.39 4.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.878 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.99 49.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.27 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt 62.23 13.4 5.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 8' ' ' ILE . 85.5 t -124.81 139.39 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 t -101.44 146.45 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 111.839 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.16 -179.87 39.85 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.383 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -93.02 126.97 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.227 0.537 . . . . 0.0 111.171 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.932 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.54 122.61 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.881 -179.109 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -123.32 141.95 51.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.621 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -105.81 110.52 31.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.744 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -102.44 109.84 21.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.46 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.06 -14.03 39.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -52.39 -25.0 8.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.016 0.436 . . . . 0.0 110.757 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.52 153.99 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.864 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -137.9 107.64 8.25 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.845 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 52.2 Cg_endo -69.31 149.94 88.26 Favored 'Cis proline' 0 C--N 1.346 0.409 0 C-N-CA 123.408 -1.497 . . . . 0.0 112.457 0.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.38 172.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.053 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' OE1' HG21 ' A' ' 39' ' ' THR . 95.9 mt-10 -152.8 160.95 43.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.036 0.446 . . . . 0.0 111.619 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.932 HD11 HG23 ' A' ' 16' ' ' ILE . 15.6 tp -112.88 116.56 30.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 146.31 24.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 121.058 0.456 . . . . 0.0 111.972 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.3 110.01 9.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.435 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HG3' HG22 ' A' ' 37' ' ' VAL . 25.3 ttm105 -103.43 127.3 50.84 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.33 160.54 8.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.751 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.94 -32.25 70.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.406 0.622 . . . . 0.0 110.062 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -69.89 -33.61 72.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.018 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.96 24.62 48.19 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.028 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -113.09 -20.5 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.756 0.312 . . . . 0.0 111.311 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -123.49 130.7 53.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.752 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.51 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.0 t -129.25 122.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' TRP . 18.3 t-80 -108.86 142.23 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.307 0.575 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.449 HG21 ' OE1' ' A' ' 26' ' ' GLU . 12.0 m -118.19 133.29 56.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.54 144.26 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 43' ' ' SER . 23.8 t -90.51 124.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.478 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.92 HD13 HD13 ' A' ' 107' ' ' ILE . 16.3 mt -88.04 -11.74 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.738 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.446 ' H ' HG12 ' A' ' 41' ' ' VAL . 90.5 p -79.31 -28.56 42.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.43 HG22 ' HB ' ' A' ' 41' ' ' VAL . 9.2 t -81.07 -23.44 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.979 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.687 HG13 HD23 ' A' ' 62' ' ' LEU . 31.2 mm -62.63 91.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -61.83 -30.14 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -157.97 167.56 29.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.868 HD21 ' HB3' ' A' ' 104' ' ' LEU . 2.4 mp -119.46 133.48 55.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.71 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.792 ' OE1' HD11 ' A' ' 63' ' ' ILE . 74.1 mt-30 -124.48 142.44 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -141.5 154.82 45.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 p -70.49 143.64 90.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.33 164.03 36.26 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.498 2.132 . . . . 0.0 112.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.43 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.556 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.9 t -89.76 -0.74 57.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.678 0.275 . . . . 0.0 111.328 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.1 114.81 29.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.716 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -19.54 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.655 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -95.12 119.43 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.8 ptp -97.84 118.53 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.5 mtp -151.07 143.16 24.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -115.07 117.73 31.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.758 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -104.84 135.19 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.067 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.687 HD23 HG13 ' A' ' 45' ' ' ILE . 2.8 mp -116.42 129.84 56.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.676 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.792 HD11 ' OE1' ' A' ' 49' ' ' GLN . 8.8 mm -98.71 130.34 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.293 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.312 179.673 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.621 ' HD3' HD12 ' A' ' 63' ' ' ILE . 98.1 mtt180 . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.905 0.384 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -118.87 119.56 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.661 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 62.3 mtt -101.07 123.47 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.31 156.81 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.39 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.569 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -125.57 130.18 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.2 m-85 -109.51 151.48 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.561 . . . . 0.0 112.03 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -107.32 8.02 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.199 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -154.47 123.97 6.53 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.965 0.412 . . . . 0.0 111.304 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' A' ' 97' ' ' MET . 74.8 ttt-85 -65.61 -26.68 67.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.914 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -45.04 33.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.242 0.544 . . . . 0.0 109.911 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.63 -32.19 54.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.606 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.462 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -74.94 -34.06 62.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.544 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.9 -28.93 60.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -71.92 -32.17 67.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.448 HG22 ' CD1' ' A' ' 104' ' ' LEU . 29.6 mm -84.57 -45.55 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.735 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.716 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.6 ttpm? -59.19 -42.29 90.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.4 tpp -68.15 -37.87 81.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -34.95 66.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.022 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.868 ' HB3' HD21 ' A' ' 48' ' ' LEU . 66.3 mt -69.73 -33.52 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.354 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.16 -34.36 77.39 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -64.99 -40.05 94.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.255 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.92 HD13 HD13 ' A' ' 42' ' ' LEU . 73.1 mt -58.29 -43.94 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.254 0.55 . . . . 0.0 109.885 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.77 HD11 HD11 ' A' ' 48' ' ' LEU . 6.8 mm -52.43 -52.49 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-O 121.852 0.834 . . . . 0.0 110.173 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t -55.23 -29.19 57.52 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -71.47 -33.89 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 44.2 m-85 -72.73 -28.18 62.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -32.4 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.807 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -58.66 -44.27 90.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.1 72.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.051 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.931 0.396 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.73 152.42 23.89 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.9 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.57 139.54 58.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 0.0 111.227 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.623 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -158.02 147.23 19.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.774 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.704 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.5 mt -96.51 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.182 0.515 . . . . 0.0 111.417 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.91 106.37 4.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.887 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.02 49.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.249 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm 62.84 12.08 5.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 8' ' ' ILE . 56.7 t -123.59 137.97 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 22.1 t -100.92 142.71 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.369 0.604 . . . . 0.0 111.624 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -162.18 -179.97 37.13 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.513 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.84 125.51 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.251 0.548 . . . . 0.0 111.152 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -101.48 121.9 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.992 -179.074 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.59 141.71 48.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.5 mt -108.92 109.51 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -103.62 109.69 21.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -94.06 -15.67 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.26 -23.11 21.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.54 154.29 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.976 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.29 107.81 9.47 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.79 148.61 90.96 Favored 'Cis proline' 0 C--N 1.349 0.557 0 C-N-CA 123.465 -1.473 . . . . 0.0 112.532 0.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -54.36 172.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.93 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -155.25 157.79 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.128 0.489 . . . . 0.0 111.86 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' CB ' HD21 ' A' ' 42' ' ' LEU . 2.2 tp -114.53 114.21 25.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.79 146.27 24.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.154 0.502 . . . . 0.0 111.932 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.529 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.5 t90 -134.27 112.01 10.7 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.588 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.524 ' HG3' HG22 ' A' ' 37' ' ' VAL . 21.2 ttp-105 -105.95 124.71 50.01 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -62.3 154.54 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -32.13 64.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.408 0.623 . . . . 0.0 110.275 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -66.99 -32.96 74.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.96 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.7 23.53 55.73 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.003 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -117.21 -17.13 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.634 0.254 . . . . 0.0 111.41 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -123.52 125.99 45.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 30' ' ' ARG . 29.9 t -127.0 120.48 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' TRP . 39.1 t-80 -109.03 142.23 40.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.5 m -119.24 135.75 54.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.315 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.508 ' HB ' HG22 ' A' ' 44' ' ' THR . 16.3 t -94.82 123.43 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.912 HD13 HD13 ' A' ' 107' ' ' ILE . 20.5 mt -88.04 -11.8 46.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.552 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.424 ' H ' HG12 ' A' ' 41' ' ' VAL . 9.8 t -80.36 -28.26 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.824 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.508 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.7 t -83.21 -19.15 37.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.682 ' CD1' HD23 ' A' ' 62' ' ' LEU . 37.7 mm -63.48 93.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -62.89 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -159.11 168.47 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -124.32 125.92 45.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -117.8 152.68 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.55 164.51 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 59' ' ' MET . 1.1 p -70.44 148.36 95.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.49 153.95 69.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.656 2.237 . . . . 0.0 112.407 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.56 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.431 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 t -89.79 -0.41 57.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 m -107.06 113.17 26.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.96 -19.33 17.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.793 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -87.97 120.01 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 tpp -94.29 119.88 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.496 ' HE2' ' SD ' ' A' ' 88' ' ' MET . 77.4 mtp -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 50' ' ' ALA . 6.1 tp -115.17 123.49 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.775 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -107.77 132.93 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.682 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.2 mp -115.77 129.07 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.8 mm -94.78 118.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.062 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.773 0.321 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -117.65 109.9 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.496 ' SD ' ' HE2' ' A' ' 59' ' ' MET . 43.6 ttm -94.91 122.27 37.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.69 155.08 24.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -118.26 119.99 36.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.43 179.547 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.6 m-85 -101.65 137.51 39.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 111.817 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.579 ' OD1' HD11 ' A' ' 8' ' ' ILE . 81.1 m-20 -98.1 9.21 43.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.257 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.56 ' ND2' HG23 ' A' ' 96' ' ' VAL . 42.1 t-20 -154.62 123.71 6.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.911 0.386 . . . . 0.0 111.343 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' A' ' 97' ' ' MET . 41.4 ttp180 -60.87 -40.57 93.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -42.31 96.59 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.114 0.483 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.56 HG23 ' ND2' ' A' ' 93' ' ' ASN . 60.4 t -70.57 -33.52 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.626 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.454 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.12 -31.41 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.687 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 97' ' ' MET . 87.3 m-20 -78.16 -27.91 48.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -71.3 -32.46 68.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.16 -45.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.44 ' CD ' ' HB2' ' A' ' 50' ' ' ALA . 27.9 ttpp -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.228 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.66 -30.75 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.479 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.2 -32.95 56.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.109 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.714 ' CD2' HD11 ' A' ' 18' ' ' ILE . 72.4 mt -70.97 -33.66 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.495 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.564 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -67.74 -35.08 78.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.134 0.492 . . . . 0.0 110.517 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 23.6 mm100 -63.37 -41.49 98.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.912 HD13 HD13 ' A' ' 42' ' ' LEU . 87.7 mt -57.53 -43.03 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 110.002 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.492 HG13 HD22 ' A' ' 48' ' ' LEU . 6.7 mm -53.09 -52.13 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.788 0.804 . . . . 0.0 110.257 178.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -54.33 -29.75 48.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.273 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.43 -36.14 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.993 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -74.17 -30.47 62.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -75.17 -31.48 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.63 -37.88 79.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.15 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.86 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.884 0.373 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.409 ' N ' HD11 ' A' ' 100' ' ' ILE . . . -155.48 148.8 19.53 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.823 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 138.0 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 0.0 111.347 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.651 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.68 147.11 25.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.721 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.711 HG23 ' O ' ' A' ' 12' ' ' VAL . 27.4 mt -96.53 143.14 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.179 0.514 . . . . 0.0 111.385 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.515 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.11 106.27 4.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.861 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.3 mt-10 78.14 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 mttm 62.33 13.33 5.91 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 8' ' ' ILE . 97.0 t -124.39 138.36 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 23.2 t -102.63 144.6 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.462 0.649 . . . . 0.0 111.777 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.07 -179.88 39.26 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.452 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.7 127.52 43.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.232 0.539 . . . . 0.0 111.126 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.651 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.76 118.6 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.654 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.46 142.97 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.69 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -105.83 117.98 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -109.08 109.63 20.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -111.64 -5.33 14.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.63 -19.58 63.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.67 -162.06 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.697 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.52 113.13 0.8 Allowed Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 67.1 Cg_endo -73.79 151.49 97.08 Favored 'Cis proline' 0 C--N 1.347 0.494 0 C-N-CA 123.516 -1.452 . . . . 0.0 112.473 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.37 172.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.677 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -157.02 146.66 20.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.517 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.634 ' HB2' HD21 ' A' ' 42' ' ' LEU . 8.9 tt -109.14 113.6 26.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 147.14 25.84 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 121.032 0.444 . . . . 0.0 111.829 -178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -132.43 109.96 10.19 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.476 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HG3' HG22 ' A' ' 37' ' ' VAL . 59.0 ttt85 -105.23 126.71 52.39 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.1 p -60.52 160.82 8.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.05 -31.91 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.484 0.659 . . . . 0.0 110.04 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.56 -33.46 71.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.43 24.66 46.14 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.194 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -113.79 -19.23 11.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 111.294 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -124.01 127.29 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.479 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.9 t -127.74 121.34 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' TRP . 14.3 t-80 -108.9 142.29 39.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -115.41 131.13 57.03 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.739 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 24.7 t -114.74 139.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.243 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.669 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.4 t -93.81 119.62 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.807 ' CD1' HD13 ' A' ' 107' ' ' ILE . 19.5 mt -83.34 -11.82 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.605 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.428 ' H ' HG12 ' A' ' 41' ' ' VAL . 9.6 t -80.46 -26.25 38.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.684 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 41' ' ' VAL . 15.3 t -95.65 20.89 9.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.476 HG21 ' HG ' ' A' ' 62' ' ' LEU . 31.4 mm -105.13 101.09 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 111.062 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.99 -26.46 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.815 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.656 ' HG2' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -171.67 165.6 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.628 HD23 HD11 ' A' ' 108' ' ' ILE . 3.2 pp -133.08 116.6 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -110.95 154.4 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.047 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.53 161.05 38.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.4 p -70.57 148.86 95.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 161.81 44.54 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.543 2.162 . . . . 0.0 112.407 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -12.09 61.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.53 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.09 57.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 0.0 111.295 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -104.61 114.31 28.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.608 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.19 -18.98 29.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.708 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -96.05 103.94 15.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtt -81.63 122.71 27.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.6 mtt -150.16 138.33 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.047 HD12 ' HB2' ' A' ' 50' ' ' ALA . 6.2 tp -115.33 117.51 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.797 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -103.26 139.08 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HG ' HG21 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -122.09 124.12 43.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.656 HD13 ' HG2' ' A' ' 47' ' ' LYS . 4.5 mp -102.4 129.86 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.942 0.401 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -109.34 115.08 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.6 mtt -100.1 125.32 46.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -117.1 161.85 18.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.589 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -128.08 118.91 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.457 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.5 m-85 -98.71 137.74 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -97.94 10.44 40.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.444 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.542 ' ND2' HG23 ' A' ' 96' ' ' VAL . 45.5 t-20 -155.3 121.63 5.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.909 0.385 . . . . 0.0 111.222 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 36.3 ptt-85 -64.89 -27.43 68.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.759 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -46.15 40.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.281 0.562 . . . . 0.0 110.048 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.542 HG23 ' ND2' ' A' ' 93' ' ' ASN . 46.6 t -67.9 -32.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.553 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.548 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.03 -29.52 61.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.03 -32.19 68.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.481 ' HA ' HG22 ' A' ' 103' ' ' THR . 26.8 mm -86.0 -44.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.029 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.618 ' HD2' ' HB3' ' A' ' 50' ' ' ALA . 21.7 ttpp -56.57 -40.58 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.7 mtm -74.45 -40.33 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.357 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.2 t -71.4 -30.01 65.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.519 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.69 ' CD2' HD11 ' A' ' 18' ' ' ILE . 22.8 mt -72.7 -33.51 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.303 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.544 ' HA ' HD21 ' A' ' 48' ' ' LEU . 56.5 mt-30 -66.78 -32.71 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -41.38 93.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.807 HD13 ' CD1' ' A' ' 42' ' ' LEU . 80.3 mt -57.77 -43.53 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.886 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.628 HD11 HD23 ' A' ' 48' ' ' LEU . 5.3 mm -52.64 -52.56 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.823 0.82 . . . . 0.0 110.237 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -56.21 -31.24 63.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -72.16 -33.71 67.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 19.9 m-85 -71.7 -29.03 64.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.576 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -70.56 -39.34 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.694 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -59.45 -36.59 76.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.44 71.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.977 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.033 0.444 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.26 146.34 13.81 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.907 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.45 138.49 58.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 0.0 111.324 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.644 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.43 147.97 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.772 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 12' ' ' VAL . 28.3 mt -96.55 143.19 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 121.133 0.492 . . . . 0.0 111.352 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.522 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.78 106.35 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.856 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.0 mt-10 78.24 49.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.201 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.54 13.09 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 8' ' ' ILE . 98.2 t -124.2 138.29 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 25.8 t -101.46 144.48 30.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.368 0.604 . . . . 0.0 111.807 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.72 -179.89 39.03 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.447 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.14 126.83 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.238 0.542 . . . . 0.0 111.14 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.72 120.49 51.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.628 -179.519 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.5 143.51 45.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.64 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -102.44 115.6 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -105.56 109.74 21.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 45.6 mt-10 -109.47 -5.44 15.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.958 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.56 -19.85 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.298 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.687 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -95.42 -162.22 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.687 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.01 113.06 0.76 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.417 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 61.5 Cg_endo -72.92 151.96 97.6 Favored 'Cis proline' 0 C--N 1.347 0.453 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.471 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.27 165.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -152.98 148.63 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 111.38 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.6 HD21 HG23 ' A' ' 16' ' ' ILE . 9.5 tt -107.49 115.42 30.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.373 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.06 147.22 25.78 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.155 0.502 . . . . 0.0 111.791 -178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.522 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -131.89 109.97 10.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.483 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.611 ' HG2' HG22 ' A' ' 37' ' ' VAL . 88.6 mtt180 -104.42 128.25 52.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -59.93 161.43 6.59 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -32.4 71.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.481 0.658 . . . . 0.0 110.084 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.86 -32.25 61.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.05 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.35 25.76 46.31 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.052 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -107.69 -21.25 12.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.797 0.332 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -127.13 130.31 49.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.611 HG22 ' HG2' ' A' ' 30' ' ' ARG . 21.6 t -126.77 122.69 61.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.217 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' TRP . 27.6 t-80 -108.91 142.31 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -114.69 136.73 52.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 26.3 t -116.67 141.89 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.282 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.648 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.8 t -94.56 123.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.01 HD13 HD13 ' A' ' 107' ' ' ILE . 12.9 mt -86.86 -11.79 49.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.688 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.441 ' H ' HG12 ' A' ' 41' ' ' VAL . 4.7 t -80.24 -25.75 39.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.691 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.6 t -96.2 21.27 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.2 mm -104.5 95.88 4.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.251 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -61.47 -30.98 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -170.47 156.08 5.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -119.27 125.26 48.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.72 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -108.88 146.06 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.84 157.38 46.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.45 143.51 90.5 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.46 157.88 48.64 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.549 2.166 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.51 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m -89.94 0.67 56.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.283 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -106.32 112.24 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 110.632 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -56.78 -19.24 16.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.435 ' O ' HG21 ' A' ' 51' ' ' THR . 50.2 pttt -86.47 123.23 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -101.37 105.75 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 81.7 mtp -151.05 136.49 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 tt -115.34 122.35 45.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -103.47 145.41 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.427 HD23 HD12 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -130.5 123.35 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 33.4 mm -76.02 139.22 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -103.8 109.53 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.7 mtt -96.04 122.53 38.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -114.13 159.03 20.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.561 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -125.26 119.07 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.605 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.9 m-85 -98.49 138.29 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.031 0.443 . . . . 0.0 111.703 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.63 10.04 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.543 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.469 ' ND2' HG23 ' A' ' 96' ' ' VAL . 43.1 t-20 -153.8 125.69 7.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 97' ' ' MET . 94.3 mtt180 -63.25 -28.09 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 -45.05 40.7 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.304 0.573 . . . . 0.0 109.91 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.469 HG23 ' ND2' ' A' ' 93' ' ' ASN . 58.3 t -68.38 -31.51 51.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.882 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.46 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 12.6 ptt? -77.31 -33.08 55.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.46 -24.88 36.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -73.92 -29.47 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.4 mm -86.07 -43.57 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.355 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 102' ' ' MET . 12.6 ptpt -50.37 -38.12 40.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.471 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 71.5 mtm -71.66 -48.34 48.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 111.138 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 -41.32 91.23 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.8 ' HB2' HD13 ' A' ' 48' ' ' LEU . 77.0 mt -65.22 -35.91 82.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.712 ' HA ' HD21 ' A' ' 48' ' ' LEU . 3.4 mt-30 -67.66 -32.99 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.656 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.66 -40.53 92.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.217 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 1.01 HD13 HD13 ' A' ' 42' ' ' LEU . 82.9 mt -57.88 -43.95 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.127 0.489 . . . . 0.0 109.794 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.424 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.2 mm -52.27 -52.5 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.748 0.785 . . . . 0.0 110.195 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -56.2 -31.61 63.61 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.089 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -72.81 -34.49 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 16.9 m-85 -72.74 -28.99 62.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.533 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -71.5 -37.18 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.718 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -58.31 -36.96 74.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.18 73.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.936 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.944 0.402 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.57 149.03 20.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.809 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 137.3 58.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.631 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -154.21 147.08 24.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.806 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.4 mt -96.47 143.22 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.041 0.448 . . . . 0.0 111.409 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.32 106.27 4.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.024 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.7 mt-10 77.97 49.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.292 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.44 12.72 5.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.2 t -123.79 138.46 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.3 t -101.98 143.97 31.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.535 0.683 . . . . 0.0 111.916 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.5 -179.91 39.51 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.107 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -92.33 128.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.324 0.583 . . . . 0.0 111.195 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.631 HD12 ' CB ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.75 118.13 48.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.693 -179.467 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.47 142.28 40.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.658 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.6 mt -109.66 110.18 31.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -109.6 109.8 20.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 2.2 pt-20 -93.85 -14.15 26.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.6 -23.36 27.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.943 0.401 . . . . 0.0 110.69 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.27 154.81 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.007 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.72 107.99 8.41 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.5 148.42 88.37 Favored 'Cis proline' 0 C--N 1.348 0.546 0 C-N-CA 123.657 -1.393 . . . . 0.0 112.402 0.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -56.71 169.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.4 156.56 32.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 0.0 111.467 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.548 ' C ' HD23 ' A' ' 27' ' ' LEU . 8.9 tt -113.45 118.78 35.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.349 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.2 147.3 25.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.048 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.7 t90 -132.96 109.94 9.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.542 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.513 ' HG3' HG22 ' A' ' 37' ' ' VAL . 57.7 ttt85 -104.38 126.68 51.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.09 161.41 6.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.776 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -32.35 71.35 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.03 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.98 -33.44 70.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.036 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.78 25.11 47.14 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.072 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -112.74 -19.67 11.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.285 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -125.26 126.34 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.727 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.513 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.1 t -125.31 121.95 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.069 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' TRP . 20.2 t-80 -108.91 142.27 39.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -113.59 133.61 55.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.626 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.55 141.34 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG22 ' A' ' 44' ' ' THR . 20.5 t -91.93 123.44 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.644 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.799 ' CD1' HD13 ' A' ' 107' ' ' ILE . 20.0 mt -88.0 -11.8 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.676 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -79.44 -28.78 41.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.3 t -82.74 -17.93 42.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.646 ' CD1' HD23 ' A' ' 62' ' ' LEU . 31.6 mm -68.49 93.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.237 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -62.22 -30.13 70.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.77 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -164.42 154.37 14.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.631 HD23 HG13 ' A' ' 108' ' ' ILE . 1.8 pp -115.04 116.17 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.651 ' O ' HD12 ' A' ' 60' ' ' LEU . 4.3 tp-100 -103.46 145.83 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.638 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -137.4 155.0 49.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 59' ' ' MET . 44.4 p -70.58 149.51 95.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.77 169.06 18.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.624 2.216 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.09 -6.04 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.601 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -89.79 -0.71 57.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.11 112.56 25.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.695 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.78 -18.57 22.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.913 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -92.88 135.3 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.403 ' HE1' ' HG3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -99.31 120.06 38.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.864 ' O ' HG23 ' A' ' 51' ' ' THR . 38.4 ttm -151.13 129.82 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 49' ' ' GLN . 28.1 tp -115.14 122.86 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -105.5 130.07 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.004 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.646 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.7 mp -109.42 130.54 55.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.0 124.02 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.385 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.919 0.39 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -111.74 116.0 30.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 71.2 mtm -96.18 111.04 23.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.55 143.54 32.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.69 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -112.8 122.62 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.463 179.669 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.0 m-85 -101.01 146.46 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 111.721 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.526 ' OD1' HD11 ' A' ' 8' ' ' ILE . 76.3 m-20 -102.64 8.7 39.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.448 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.431 ' HB3' HG23 ' A' ' 96' ' ' VAL . 4.9 t-20 -161.34 134.4 6.32 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.943 0.402 . . . . 0.0 111.636 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.444 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.5 mtt180 -64.42 -40.8 96.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.475 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -39.97 95.76 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.156 0.503 . . . . 0.0 110.603 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 93' ' ' ASN . 64.2 t -72.64 -35.12 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.384 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.468 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 7.5 ptm -75.61 -32.64 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.324 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 -28.77 48.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.17 -32.7 67.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.07 -44.37 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.3 -41.11 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mmm -72.25 -38.68 68.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.129 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.515 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -72.14 -37.29 69.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.96 179.695 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.658 ' CD2' HD11 ' A' ' 18' ' ' ILE . 25.9 mt -68.04 -31.96 71.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.285 179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.527 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.7 mm100 -66.2 -35.76 81.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.16 -41.49 97.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.308 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.799 HD13 ' CD1' ' A' ' 42' ' ' LEU . 80.7 mt -57.57 -43.79 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.631 HG13 HD23 ' A' ' 48' ' ' LEU . 4.9 mm -52.24 -52.6 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.81 0.814 . . . . 0.0 110.236 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.2 m -53.43 -29.81 37.24 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.321 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -71.26 -34.14 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 107' ' ' ILE . 59.2 m-85 -70.38 -28.52 65.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.669 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -69.44 -35.02 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.36 -37.58 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.72 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.31 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 121.035 0.445 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 149.69 20.27 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.787 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.25 137.3 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 0.0 111.385 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.627 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.55 148.07 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.674 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' VAL . 30.9 mt -96.5 143.35 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 111.391 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.526 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.7 t80 -144.79 106.38 4.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.069 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.57 49.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.376 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? 61.44 15.03 6.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 79.0 t -125.63 140.19 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 m -103.09 147.95 26.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.5 0.667 . . . . 0.0 112.062 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -170.18 180.0 42.06 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.049 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -93.87 129.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.363 0.601 . . . . 0.0 111.221 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.627 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.78 118.6 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.636 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.8 143.17 43.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.708 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -104.16 118.52 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 120.986 0.422 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -109.07 109.68 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 7.1 pt-20 -111.01 -5.66 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.927 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.82 -19.81 62.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.268 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.684 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -96.7 -161.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.684 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.6 p -165.98 113.31 0.77 Allowed Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.788 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 63.1 Cg_endo -73.19 151.55 97.2 Favored 'Cis proline' 0 C--N 1.348 0.506 0 C-N-CA 123.481 -1.466 . . . . 0.0 112.46 -0.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.612 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -156.67 147.05 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 111.476 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.714 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.2 tt -108.14 113.92 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.381 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 147.27 25.77 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 121.099 0.476 . . . . 0.0 111.757 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -131.38 109.92 10.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.451 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 93.9 mtt-85 -103.77 125.32 50.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -56.91 164.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.811 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -33.5 70.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.404 0.621 . . . . 0.0 109.983 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -77.33 -37.83 51.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 -23.65 29.01 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.102 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.13 -21.63 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -107.35 126.25 52.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.947 0.403 . . . . 0.0 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.99 113.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' TRP . 16.6 t-80 -110.88 142.22 43.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.206 0.527 . . . . 0.0 111.231 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -114.38 132.55 56.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.803 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 22.3 t -116.38 142.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.322 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' HG22 ' A' ' 44' ' ' THR . 15.9 t -94.36 122.98 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.664 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.809 ' CD1' HD13 ' A' ' 107' ' ' ILE . 23.7 mt -87.96 -11.88 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.612 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 12.0 t -80.55 -27.57 37.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.896 0.379 . . . . 0.0 110.79 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.555 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.3 t -86.19 -5.86 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.354 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.404 ' CD1' HD23 ' A' ' 62' ' ' LEU . 30.5 mm -80.38 98.97 3.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.882 0.373 . . . . 0.0 111.244 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -60.92 -27.93 68.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.713 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -172.18 149.26 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' ' 105' ' ' GLN . 3.3 pp -109.19 116.42 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.791 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -104.18 155.42 18.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.728 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.6 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 59' ' ' MET . 71.6 p -70.5 152.13 95.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.47 159.25 51.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.532 2.154 . . . . 0.0 112.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -10.63 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.57 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.6 m -89.74 -0.06 57.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 114.19 28.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -57.24 -19.34 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -90.52 104.53 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.08 114.65 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.655 ' O ' HG23 ' A' ' 51' ' ' THR . 53.0 mtt -145.11 146.84 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.728 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 3.2 mm? -115.32 137.76 51.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -116.87 124.88 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.1 mp -101.76 132.51 47.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.01 123.8 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.4 179.856 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -128.05 112.04 14.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -100.02 119.84 38.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -111.32 155.68 22.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.049 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -123.55 120.56 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.67 ' CD1' HD23 ' A' ' 60' ' ' LEU . 27.8 m-85 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.055 0.455 . . . . 0.0 111.663 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -97.26 10.87 38.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.48 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.83 ' OD1' HG23 ' A' ' 96' ' ' VAL . 17.7 t-20 -155.22 117.36 4.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.975 0.417 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 97' ' ' MET . 6.3 tmm_? -60.86 -29.02 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.893 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.19 -47.3 44.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.249 0.547 . . . . 0.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.83 HG23 ' OD1' ' A' ' 93' ' ' ASN . 59.3 t -67.17 -31.07 51.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.577 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.52 ' SD ' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -73.51 -33.16 64.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.647 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 97' ' ' MET . 46.8 t0 -73.73 -29.42 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.79 -30.1 63.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.552 ' HA ' HG22 ' A' ' 103' ' ' THR . 29.5 mm -86.13 -42.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 22.0 ttpp -57.78 -39.55 77.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.266 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.401 ' HE2' ' OD1' ' A' ' 98' ' ' ASP . 64.7 mtt -77.26 -40.47 44.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.394 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.3 t -69.95 -31.4 69.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 18' ' ' ILE . 25.7 mt -71.72 -34.4 69.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.592 ' HA ' HD21 ' A' ' 48' ' ' LEU . 79.6 mt-30 -66.55 -31.63 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.17 -42.3 93.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.333 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.809 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.0 mt -57.19 -43.58 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.115 0.483 . . . . 0.0 109.838 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.416 HG12 ' HA ' ' A' ' 105' ' ' GLN . 6.2 mm -52.31 -52.81 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.808 0.814 . . . . 0.0 110.162 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.6 t -57.03 -27.13 61.36 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -33.25 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 30.8 m-85 -71.27 -28.76 64.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.39 -39.79 74.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.744 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.29 -32.92 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.857 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.017 0.437 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.25 150.85 22.45 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.97 138.51 58.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.99 0.424 . . . . 0.0 111.331 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.764 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.3 mt -96.61 143.16 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 CA-C-O 121.051 0.453 . . . . 0.0 111.314 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.82 106.36 4.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.912 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.23 49.54 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.217 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm 62.45 13.11 5.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 8' ' ' ILE . 98.3 t -124.11 138.53 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -101.81 144.75 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.378 0.608 . . . . 0.0 111.768 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.85 -179.95 39.16 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.368 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.53 126.35 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 0.0 111.089 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.67 119.92 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.659 -179.486 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.35 142.8 46.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -104.92 113.12 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -102.47 109.67 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 6.5 pt-20 -108.75 -3.8 17.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.908 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -63.68 -19.9 65.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.162 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.684 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.55 -161.9 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.777 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.684 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.18 113.22 0.75 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.96 151.6 97.22 Favored 'Cis proline' 0 C--N 1.346 0.444 0 C-N-CA 123.632 -1.403 . . . . 0.0 112.265 -0.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -156.57 150.25 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 111.477 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.675 ' HB2' HD21 ' A' ' 42' ' ' LEU . 8.9 tt -110.47 112.8 24.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.545 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.21 25.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.815 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -131.41 110.71 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.425 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HG2' HG22 ' A' ' 37' ' ' VAL . 72.5 mtp85 -105.27 127.1 52.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.13 160.04 8.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.964 0.411 . . . . 0.0 110.779 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -32.2 70.34 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.413 0.625 . . . . 0.0 110.012 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.57 -32.63 64.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.51 25.47 46.86 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.012 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -109.82 -20.48 12.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -126.29 128.21 46.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' A' ' 30' ' ' ARG . 21.9 t -126.02 121.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.139 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' TRP . 25.4 t-80 -108.95 142.36 39.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.193 0.52 . . . . 0.0 111.082 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -115.1 131.77 56.82 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.769 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.89 141.45 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.14 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.639 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.0 t -95.08 120.22 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 27' ' ' LEU . 20.3 mt -84.49 -11.87 55.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.55 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 7.5 t -81.15 -24.86 37.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.721 0.296 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.639 HG22 ' HB ' ' A' ' 41' ' ' VAL . 15.1 t -95.1 20.68 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.694 ' CD1' HD23 ' A' ' 62' ' ' LEU . 34.0 mm -96.61 100.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.16 -27.37 65.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -176.63 163.74 2.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.835 HD21 ' HB3' ' A' ' 104' ' ' LEU . 1.2 mp -103.74 138.35 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -127.18 138.21 53.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.792 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -137.62 154.92 49.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -70.58 151.91 95.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.21 152.04 76.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.183 . . . . 0.0 112.384 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.82 -15.59 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.496 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.2 m -89.73 -0.12 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.336 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 113.67 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.79 -18.98 25.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.777 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -84.4 112.05 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.8 mtm -88.54 116.54 26.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 85.8 mtp -150.99 133.58 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' ' 50' ' ' ALA . 14.5 tp -115.3 113.1 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.541 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -103.01 135.32 44.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.694 HD23 ' CD1' ' A' ' 45' ' ' ILE . 1.7 mp -111.54 128.3 55.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.736 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.427 HD12 ' HG2' ' A' ' 86' ' ' ARG . 10.1 mm -86.77 127.63 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.359 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HG2' HD12 ' A' ' 63' ' ' ILE . 13.1 mtp180 . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.887 0.375 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.54 109.46 21.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.533 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 37.2 ttm -94.9 128.28 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 87.6 m-85 -119.35 163.04 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.695 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -127.37 122.39 33.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.407 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.7 m-85 -103.62 150.25 24.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.0 111.871 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -108.1 10.9 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.132 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' ND2' HG23 ' A' ' 96' ' ' VAL . 41.7 t-20 -156.29 129.48 8.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.892 0.377 . . . . 0.0 111.36 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 97' ' ' MET . 95.6 mtt180 -67.45 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.72 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -44.89 33.65 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.231 0.538 . . . . 0.0 109.773 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' ND2' ' A' ' 93' ' ' ASN . 57.9 t -68.4 -32.28 54.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.709 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.465 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -75.93 -34.26 59.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -79.24 -27.1 42.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -71.08 -31.41 67.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 104' ' ' LEU . 28.6 mm -85.21 -46.69 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 27.2 ttpp -58.99 -39.26 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.747 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 tpp -70.76 -38.92 73.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.514 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.34 -24.34 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.835 ' HB3' HD21 ' A' ' 48' ' ' LEU . 30.9 mt -80.8 -29.57 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -71.09 -35.78 71.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 103' ' ' THR . 10.1 pt20 -66.21 -38.17 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.018 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.565 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.7 mt -58.83 -43.54 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.87 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.718 HD11 HD11 ' A' ' 48' ' ' LEU . 6.6 mm -52.76 -52.36 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.864 0.84 . . . . 0.0 110.3 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.8 t -54.44 -30.78 53.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.288 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -71.19 -32.11 68.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 38.5 m-85 -71.18 -28.49 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.681 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -69.65 -35.6 75.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.766 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.06 -37.85 81.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.41 73.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.874 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.996 0.427 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.39 147.25 14.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.82 138.47 58.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.105 0.478 . . . . 0.0 111.301 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.658 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -154.08 148.29 25.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.791 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.694 HG23 ' O ' ' A' ' 12' ' ' VAL . 26.3 mt -96.6 143.15 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.072 0.463 . . . . 0.0 111.345 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.18 106.29 4.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.846 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.7 mt-10 78.55 49.26 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.214 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttt 62.16 13.84 6.14 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 8' ' ' ILE . 61.5 t -124.9 138.6 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -101.52 146.05 28.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.397 0.618 . . . . 0.0 111.777 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.4 -179.93 40.02 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.368 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.28 127.66 44.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.23 0.538 . . . . 0.0 111.117 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.658 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.73 118.47 48.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.686 -179.498 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.19 143.55 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.679 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -102.19 119.72 50.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.06 109.61 20.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 8.0 pt-20 -112.88 -6.7 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.86 -19.54 62.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.315 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.685 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.61 -162.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.685 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.53 112.96 0.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.66 151.27 96.82 Favored 'Cis proline' 0 C--N 1.347 0.499 0 C-N-CA 123.526 -1.447 . . . . 0.0 112.453 0.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.4 169.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.89 146.43 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.401 . . . . 0.0 111.388 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 27' ' ' LEU . 9.3 tt -106.25 115.52 30.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 147.27 25.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.921 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -132.35 110.02 10.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.702 ' HG2' HG22 ' A' ' 37' ' ' VAL . 98.0 mtt180 -103.45 127.6 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -60.01 161.83 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 110.743 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.29 -31.99 71.83 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.423 0.63 . . . . 0.0 110.006 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.69 -32.26 65.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.074 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.09 24.66 47.5 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.083 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -112.1 -22.2 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -120.26 127.79 52.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.702 HG22 ' HG2' ' A' ' 30' ' ' ARG . 33.1 t -126.91 120.59 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.18 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' TRP . 33.1 t-80 -108.97 142.26 39.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 m -114.86 135.42 54.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.706 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 24.5 t -117.94 140.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.248 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.643 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.0 t -95.03 122.86 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' A' ' 107' ' ' ILE . 18.2 mt -88.06 -11.78 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.581 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 35.0 p -80.59 -24.91 38.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.643 HG22 ' HB ' ' A' ' 41' ' ' VAL . 13.6 t -96.56 20.88 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.561 ' CD1' HD23 ' A' ' 62' ' ' LEU . 34.0 mm -103.53 101.52 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.874 0.368 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.55 -26.33 65.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -173.61 165.97 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.699 HD23 HG13 ' A' ' 108' ' ' ILE . 2.8 pp -124.57 123.76 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.722 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.685 ' O ' HD12 ' A' ' 60' ' ' LEU . 79.2 mt-30 -108.55 147.38 31.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.46 151.38 43.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.409 HG21 ' O ' ' A' ' 57' ' ' LYS . 4.6 p -71.87 143.97 87.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.5 164.94 32.8 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.586 2.19 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.94 -12.76 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.468 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.77 -0.52 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.09 114.9 29.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.378 . . . . 0.0 110.583 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.96 -18.95 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.752 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' O ' HG21 ' A' ' 51' ' ' THR . 14.8 mtpt -95.79 104.33 16.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.412 ' HE3' ' CA ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -87.84 110.3 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.7 mtp -144.86 144.4 31.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.019 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 49' ' ' GLN . 27.0 tp -115.38 125.57 53.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -110.92 142.4 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 45' ' ' ILE . 1.0 OUTLIER -122.44 124.68 44.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.836 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.526 HD12 ' HG2' ' A' ' 86' ' ' ARG . 19.4 mm -89.8 125.17 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.404 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.526 ' HG2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.879 0.371 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -102.07 112.8 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 47.5 ttm -96.01 122.22 38.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.003 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.65 156.86 22.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.627 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -123.47 118.56 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.3 m-85 -98.82 140.12 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.118 0.485 . . . . 0.0 111.659 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.485 ' OD1' HD11 ' A' ' 8' ' ' ILE . 29.9 m120 -99.53 10.74 40.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.478 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.458 ' ND2' HG23 ' A' ' 96' ' ' VAL . 46.2 t-20 -155.74 129.65 8.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 111.424 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 59.1 mtp180 -66.63 -27.9 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.817 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.41 -45.5 46.25 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.297 0.57 . . . . 0.0 110.047 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.458 HG23 ' ND2' ' A' ' 93' ' ' ASN . 46.6 t -69.69 -32.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.746 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.458 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 3.2 ppp? -78.64 -31.92 47.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.4 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -80.64 -26.07 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -74.65 -29.35 61.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 mm -85.96 -41.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -54.67 -35.34 63.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.474 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mtm -78.67 -47.68 16.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.948 0.404 . . . . 0.0 111.516 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -62.19 -40.61 96.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.613 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.679 ' CD2' HD11 ' A' ' 18' ' ' ILE . 26.5 mt -65.32 -33.25 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.449 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.595 ' HA ' HD21 ' A' ' 48' ' ' LEU . 33.8 mt-30 -66.58 -32.92 74.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.57 -41.12 93.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.408 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.763 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.3 mt -58.08 -43.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.461 . . . . 0.0 109.955 178.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.699 HG13 HD23 ' A' ' 48' ' ' LEU . 6.5 mm -52.58 -52.44 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.71 0.766 . . . . 0.0 110.184 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 p -53.67 -35.84 61.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.113 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -67.08 -32.11 73.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 27.5 m-85 -71.83 -28.9 63.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.664 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.83 -34.22 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.34 -37.71 78.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.22 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.921 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.003 0.43 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 149.28 18.64 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.915 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.97 138.22 58.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.041 0.448 . . . . 0.0 111.345 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.659 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.77 148.56 22.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.762 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.723 HG23 ' O ' ' A' ' 12' ' ' VAL . 30.6 mt -96.54 143.27 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 CA-C-O 121.093 0.473 . . . . 0.0 111.377 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.6 t80 -143.53 106.36 4.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.147 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 58.0 mm-40 77.61 50.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.337 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 61.83 13.32 5.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 8' ' ' ILE . 74.7 t -124.55 139.22 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -100.58 146.7 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.473 0.654 . . . . 0.0 111.896 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.26 -179.93 40.48 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.079 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.502 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -94.91 129.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.34 0.59 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.819 HG23 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.52 123.28 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.96 -179.209 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.94 49.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 18' ' ' ILE . 0.9 OUTLIER -100.71 110.87 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.63 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -93.15 109.47 20.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -107.41 -7.24 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.61 -20.77 50.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.92 -161.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.672 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -167.42 113.92 0.65 Allowed Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.434 ' O ' HG13 ' A' ' 22' ' ' VAL . 11.5 Cg_exo -70.95 153.36 95.95 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.674 -1.386 . . . . 0.0 112.192 0.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.18 172.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.49 161.03 40.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 111.544 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.819 HD21 HG23 ' A' ' 16' ' ' ILE . 1.7 tm? -115.14 106.97 14.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.108 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.6 146.57 25.04 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 120.994 0.426 . . . . 0.0 112.083 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -134.3 110.02 9.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.591 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.585 ' HG3' HG22 ' A' ' 37' ' ' VAL . 38.9 ttm180 -102.44 128.48 49.03 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -61.16 161.43 8.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.853 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -32.08 72.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.014 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.29 -32.38 68.58 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.09 51.03 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.05 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -114.03 -19.75 11.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.789 0.328 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -124.49 127.31 47.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.0 t -127.93 124.89 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.166 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' A' ' 40' ' ' VAL . 14.3 t-80 -108.85 142.19 39.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.298 0.57 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.8 m -119.49 134.71 55.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.506 HG22 ' CE1' ' A' ' 38' ' ' HIS . 16.7 t -122.12 142.36 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.231 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 43' ' ' SER . 24.7 t -94.33 117.82 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.829 ' CD1' HD13 ' A' ' 107' ' ' ILE . 17.8 mt -76.89 -11.59 59.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.673 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.518 ' H ' HG12 ' A' ' 41' ' ' VAL . 1.3 t -77.04 -24.71 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.836 0.351 . . . . 0.0 110.697 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 41' ' ' VAL . 13.6 t -96.55 24.26 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.489 HD12 ' HG ' ' A' ' 62' ' ' LEU . 34.4 mm -104.21 100.24 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.94 0.4 . . . . 0.0 111.2 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -59.54 -28.01 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -176.36 165.13 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.834 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.727 HD11 ' CG ' ' A' ' 105' ' ' GLN . 2.6 pt? -128.02 130.75 48.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.744 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 91.4 mt-30 -119.42 161.79 19.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.58 154.78 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -70.61 148.09 94.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.16 161.65 45.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.533 2.155 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.7 -11.66 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.558 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.0 m -89.75 -0.18 57.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 p -104.21 113.36 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.585 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.57 -19.07 23.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -96.01 117.32 30.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.4 mmm -91.34 119.57 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.05 145.86 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 3.7 mm? -115.13 133.37 56.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.458 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 54.9 mtt85 -102.98 145.32 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' HD12 ' A' ' 45' ' ' ILE . 3.5 tp -126.89 117.15 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.6 mm -88.91 125.38 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.134 179.632 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.935 0.398 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -123.72 116.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.581 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.9 mtm -102.73 117.53 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 58.7 m-85 -105.04 149.47 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.708 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -116.77 126.82 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.343 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.3 m-85 -108.23 139.97 42.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.518 . . . . 0.0 112.044 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.432 ' OD1' HD11 ' A' ' 8' ' ' ILE . 82.0 m-20 -101.4 9.8 41.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.1 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -153.8 125.63 7.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 111.408 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 97' ' ' MET . 91.6 mtt180 -63.49 -41.68 98.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.517 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.92 97.82 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.089 0.471 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.0 t -69.31 -37.93 76.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.5 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 2.5 ptt? -72.31 -35.48 68.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.6 ' HA ' ' HZ3' ' A' ' 101' ' ' LYS . 81.4 m-20 -72.29 -31.32 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -70.81 -34.72 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.482 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.8 mm -86.24 -43.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.9 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.6 ' HZ3' ' HA ' ' A' ' 98' ' ' ASP . 7.9 ttpm? -55.15 -49.9 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.74 -34.12 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -36.09 66.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.2 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 107' ' ' ILE . 63.1 mt -68.44 -35.01 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.454 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.727 ' CG ' HD11 ' A' ' 48' ' ' LEU . 64.0 mt-30 -66.57 -34.46 77.95 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.35 -40.64 93.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.829 HD13 ' CD1' ' A' ' 42' ' ' LEU . 77.4 mt -57.98 -44.01 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.192 0.52 . . . . 0.0 109.856 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.693 HG13 HD22 ' A' ' 48' ' ' LEU . 5.4 mm -51.59 -52.69 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.854 0.835 . . . . 0.0 110.133 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.4 t -52.67 -28.49 21.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.208 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -70.29 -35.04 73.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 66.0 m-85 -71.51 -27.88 63.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.644 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -35.25 70.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.655 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -60.81 -39.21 88.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.31 -33.32 74.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.9 t0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.998 0.428 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.594 ' N ' HD11 ' A' ' 100' ' ' ILE . . . -159.25 153.51 24.59 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.926 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.02 139.32 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.93 0.395 . . . . 0.0 111.344 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.662 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.24 149.04 22.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.606 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 12' ' ' VAL . 28.2 mt -96.57 143.4 12.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 111.279 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.539 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t80 -144.57 106.35 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.117 178.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 71.8 mt-10 77.5 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.21 15.2 6.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 8' ' ' ILE . 71.2 t -126.2 140.37 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.3 p -99.19 150.46 22.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.42 0.629 . . . . 0.0 111.807 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.17 174.02 44.82 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.592 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -90.41 126.65 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.906 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.21 122.5 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.996 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -122.94 141.82 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.873 HG13 HD13 ' A' ' 27' ' ' LEU . 1.4 mt -107.29 109.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -102.46 109.71 21.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -92.52 -14.57 28.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.229 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.74 -23.83 19.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.95 0.405 . . . . 0.0 110.632 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.86 154.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.004 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -136.36 107.94 9.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 59.8 Cg_endo -72.31 148.4 91.18 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 123.444 -1.482 . . . . 0.0 112.658 0.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.43 172.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.998 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' OE1' HG21 ' A' ' 39' ' ' THR . 93.2 mt-10 -156.35 160.54 39.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.131 0.491 . . . . 0.0 111.696 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.906 HD11 HG23 ' A' ' 16' ' ' ILE . 14.6 tp -112.49 114.61 27.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.137 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.51 24.32 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.141 0.496 . . . . 0.0 112.33 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.539 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.44 109.87 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.388 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.58 ' HG3' HG13 ' A' ' 37' ' ' VAL . 2.1 mpt_? -101.69 125.05 48.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -57.98 154.57 12.25 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.066 0.46 . . . . 0.0 111.043 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -30.82 66.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.93 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -71.93 -32.37 67.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.98 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.86 24.51 48.99 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.046 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -114.49 -18.36 11.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.326 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -125.9 133.27 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.58 HG13 ' HG3' ' A' ' 30' ' ' ARG . 22.1 t -129.49 120.87 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' TRP . 37.4 t-80 -108.94 142.14 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.991 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.464 HG21 ' OE1' ' A' ' 26' ' ' GLU . 25.7 m -122.42 133.19 54.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.752 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 23.1 t -113.05 133.34 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.66 ' O ' HG22 ' A' ' 44' ' ' THR . 4.0 t -86.56 112.84 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.85 ' CD1' HD13 ' A' ' 107' ' ' ILE . 20.8 mt -72.33 -11.86 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.793 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 82.7 p -78.67 -26.9 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.682 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 41' ' ' VAL . 9.8 t -86.67 -22.18 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.658 ' CD1' HD23 ' A' ' 62' ' ' LEU . 39.1 mm -62.34 94.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.2 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.735 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -161.18 164.48 30.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.838 HD11 ' CG ' ' A' ' 105' ' ' GLN . 2.3 pt? -127.39 135.88 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -124.36 144.86 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.77 160.69 38.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.231 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.442 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.31 147.27 95.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.4 154.2 69.48 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.42 -17.73 64.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -89.75 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.397 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -107.04 113.8 27.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.21 -18.8 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' O ' HG21 ' A' ' 51' ' ' THR . 97.6 mttt -86.21 116.87 24.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.75 113.1 24.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.6 mtp -150.95 133.38 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 61' ' ' ARG . 4.9 tt -115.34 128.36 56.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.434 ' N ' HD23 ' A' ' 60' ' ' LEU . 29.9 ttm180 -108.81 137.82 46.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.988 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.658 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.1 mp -119.3 127.96 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.18 136.35 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.286 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.847 0.356 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -120.58 109.45 15.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.6 ttp -96.85 122.54 39.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 81.0 m-85 -112.78 156.3 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.68 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -125.6 116.65 22.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.194 179.614 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.9 m-85 -97.62 132.58 43.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.049 0.452 . . . . 0.0 111.72 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.608 ' OD1' HD11 ' A' ' 8' ' ' ILE . 81.1 m-20 -94.07 8.86 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.412 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.571 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -149.77 126.91 11.29 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 111.35 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.521 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 35.3 ttm180 -63.2 -47.81 80.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.726 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -34.71 78.93 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' HB3' ' A' ' 93' ' ' ASN . 95.6 t -70.35 -37.48 71.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.951 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.521 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 12.3 ptt? -73.8 -33.29 64.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.664 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.67 -28.13 51.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.784 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -71.57 -34.41 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.594 HD11 ' N ' ' A' ' 5' ' ' GLY . 24.2 mm -86.14 -45.22 16.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.041 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.612 ' HA ' HD23 ' A' ' 104' ' ' LEU . 10.6 ttmt -59.07 -43.06 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.7 mmm -66.45 -36.29 82.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.47 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.05 -38.16 53.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.947 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.821 HD11 HD13 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -71.38 -29.74 65.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.812 179.041 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.838 ' CG ' HD11 ' A' ' 48' ' ' LEU . 55.7 mt-30 -65.29 -35.74 81.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.98 -39.32 90.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.85 HD13 ' CD1' ' A' ' 42' ' ' LEU . 76.0 mt -59.16 -43.74 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.795 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.815 HG13 HD22 ' A' ' 48' ' ' LEU . 5.0 mm -52.2 -52.65 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 CA-C-O 121.791 0.805 . . . . 0.0 110.095 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -55.87 -26.16 45.76 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -34.76 64.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.738 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 43' ' ' SER . 47.4 m-85 -74.06 -31.39 62.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -75.17 -34.76 61.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.08 -38.78 83.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.33 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.853 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.869 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.31 153.34 24.1 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.011 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -65.14 139.57 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 111.295 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.67 147.95 22.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.798 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 90' ' ' SER . 30.0 mt -96.63 143.3 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.101 0.477 . . . . 0.0 111.268 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.5 t80 -145.55 106.32 4.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.921 178.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.2 mt-10 78.26 49.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.244 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm 62.04 14.22 6.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 8' ' ' ILE . 96.8 t -125.05 139.65 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 m -102.43 146.35 28.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.347 0.594 . . . . 0.0 111.833 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.39 -179.88 39.99 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.391 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.98 126.58 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.267 0.556 . . . . 0.0 111.148 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.874 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.45 122.82 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.918 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.556 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -120.53 142.75 49.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.621 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.696 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -103.59 115.27 45.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -100.03 109.68 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -109.25 -7.23 15.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.99 -19.97 55.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.208 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.686 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.25 -162.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.686 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.5 p -166.46 113.38 0.72 Allowed Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.58 152.54 97.8 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.418 -1.493 . . . . 0.0 112.494 0.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.32 172.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -148.69 160.95 42.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.424 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.874 HD11 HG23 ' A' ' 16' ' ' ILE . 18.1 tp -119.71 110.57 16.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.428 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 146.37 24.22 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-O 121.04 0.448 . . . . 0.0 111.948 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.2 110.0 9.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.47 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.695 ' HG2' HG22 ' A' ' 37' ' ' VAL . 77.5 mtm180 -103.42 126.68 50.71 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.45 160.13 9.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.933 0.397 . . . . 0.0 110.775 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -32.22 70.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.4 0.619 . . . . 0.0 109.989 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.82 -33.1 68.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.048 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.45 23.77 49.56 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.213 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -111.96 -20.3 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.663 0.268 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -122.37 126.49 48.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' HG2' ' A' ' 30' ' ' ARG . 33.1 t -125.85 120.73 58.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.187 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 26.8 t-80 -108.89 142.28 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.166 0.508 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.9 m -121.69 132.03 54.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.794 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 21.4 t -117.17 142.86 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.637 ' HB ' HG22 ' A' ' 44' ' ' THR . 21.5 t -89.07 121.91 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.693 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.955 HD13 HD13 ' A' ' 107' ' ' ILE . 22.4 mt -85.42 -11.74 53.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.558 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -80.12 -25.27 39.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 110.758 179.735 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.637 HG22 ' HB ' ' A' ' 41' ' ' VAL . 13.0 t -95.07 20.66 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mm -98.82 98.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.69 -26.81 68.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.24 162.26 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.826 HD11 ' HG2' ' A' ' 105' ' ' GLN . 2.0 pt? -123.48 134.3 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -118.15 153.2 34.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.54 158.01 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.36 147.71 95.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.6 153.96 68.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.601 2.201 . . . . 0.0 112.433 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -17.5 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.452 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.78 -0.74 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.43 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -107.05 114.03 27.86 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.33 -18.84 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.675 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.408 ' O ' HG21 ' A' ' 51' ' ' THR . 36.0 mttp -85.75 119.79 26.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.9 mtt -97.07 112.04 23.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.559 ' C ' HD12 ' A' ' 60' ' ' LEU . 56.4 mtt -151.14 131.93 14.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' ' 101' ' ' LYS . 8.5 mp -115.3 119.14 35.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.97 126.22 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.75 130.89 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.2 mm -74.45 145.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.252 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 -179.733 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -108.3 117.07 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -104.27 129.27 52.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -117.53 161.01 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.725 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -125.45 123.22 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.269 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.616 ' CD1' HD13 ' A' ' 60' ' ' LEU . 33.9 m-85 -100.96 136.64 40.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.152 0.501 . . . . 0.0 111.848 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -98.46 9.98 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.263 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -152.88 129.22 10.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 97' ' ' MET . 8.5 tpp180 -64.78 -46.79 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.733 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -39.46 94.28 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.063 0.458 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.95 -33.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.676 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.475 ' SD ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -74.85 -31.73 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.749 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -79.52 -27.42 41.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.59 -32.13 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mm -86.02 -44.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.63 ' HB2' HD21 ' A' ' 60' ' ' LEU . 24.6 ttpp -56.41 -45.6 80.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.2 mtp -69.5 -36.22 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 110.944 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -39.52 72.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.186 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 18' ' ' ILE . 75.5 mt -66.76 -32.22 73.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.0 mm-40 -68.24 -33.17 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -65.19 -40.76 94.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.955 HD13 HD13 ' A' ' 42' ' ' LEU . 77.7 mt -57.51 -44.6 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 121.188 0.518 . . . . 0.0 109.8 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.557 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -52.43 -52.61 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 121.835 0.826 . . . . 0.0 110.353 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.7 t -56.48 -26.94 55.69 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.325 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.419 ' NH1' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -75.77 -34.08 60.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 43' ' ' SER . 33.9 m-85 -76.49 -29.93 57.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.487 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -75.95 -31.14 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.828 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.68 -36.69 74.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.22 -33.28 73.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.819 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.0 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.83 161.13 31.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.898 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -71.32 137.6 48.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.084 0.469 . . . . 0.0 111.426 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.663 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.84 145.69 24.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.611 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 12' ' ' VAL . 32.0 mt -96.36 143.27 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.097 0.475 . . . . 0.0 111.309 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.0 t80 -144.41 106.34 4.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.017 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 56.8 mm-40 78.21 49.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.388 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp 62.3 13.13 5.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 8' ' ' ILE . 85.9 t -123.75 138.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -101.94 145.28 29.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.46 0.647 . . . . 0.0 111.879 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.21 -179.88 39.89 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.134 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' ' 15' ' ' ILE . 1.9 mp -94.79 129.13 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.383 0.611 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.773 HG23 HD11 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.47 121.26 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.822 -179.106 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.31 143.33 45.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.893 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.3 mt -104.99 117.85 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.702 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -103.48 109.51 21.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -107.06 -8.65 16.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.984 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -58.66 -20.38 47.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.689 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -98.01 -162.14 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.689 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -166.87 113.68 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' O ' HG13 ' A' ' 22' ' ' VAL . 57.6 Cg_endo -71.25 153.18 96.36 Favored 'Cis proline' 0 C--N 1.346 0.429 0 C-N-CA 123.428 -1.488 . . . . 0.0 112.37 0.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.27 172.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.658 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.17 161.1 39.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.121 0.486 . . . . 0.0 111.743 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.793 ' HB2' HD21 ' A' ' 42' ' ' LEU . 17.9 tp -122.78 106.83 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.149 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.21 146.4 24.79 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.138 0.494 . . . . 0.0 111.939 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.3 t90 -134.13 109.98 9.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.329 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.557 ' HG3' HG22 ' A' ' 37' ' ' VAL . 72.3 ttt-85 -103.88 126.79 51.26 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -60.94 160.59 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.974 0.416 . . . . 0.0 111.001 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -31.98 71.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.501 0.667 . . . . 0.0 109.958 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -71.5 -33.19 69.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.013 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.53 25.36 47.23 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.004 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -112.37 -18.02 12.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -128.1 130.03 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.405 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.557 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.5 t -127.57 121.75 57.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.017 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 26.4 t-80 -108.84 142.18 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.241 0.543 . . . . 0.0 111.233 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.2 m -119.84 132.54 55.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.772 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.57 145.27 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.37 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 44' ' ' THR . 37.0 t -91.56 121.13 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 27' ' ' LEU . 23.5 mt -83.88 -11.69 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.685 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.445 ' H ' HG12 ' A' ' 41' ' ' VAL . 91.0 p -77.48 -27.95 52.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -80.21 -22.92 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.047 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.705 HG13 HD23 ' A' ' 62' ' ' LEU . 38.8 mm -62.03 93.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -62.6 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -157.76 163.82 37.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.898 0.38 . . . . 0.0 111.117 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.846 HD21 ' HB3' ' A' ' 104' ' ' LEU . 2.1 mp -119.56 121.77 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.733 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.554 ' O ' HD13 ' A' ' 60' ' ' LEU . 94.8 mt-30 -115.11 145.47 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.52 158.05 44.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -70.37 142.69 89.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.69 162.94 40.77 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.559 2.173 . . . . 0.0 112.423 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.92 -12.34 61.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.533 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.72 -0.3 57.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.726 0.298 . . . . 0.0 111.378 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.03 115.37 30.06 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -57.92 -19.21 28.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.7 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -90.6 112.57 24.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -93.04 109.57 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 61.3 mtt -144.46 150.45 37.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -115.2 128.93 56.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.723 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -114.72 136.8 52.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.705 HD23 HG13 ' A' ' 45' ' ' ILE . 2.8 mp -123.1 129.19 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.47 128.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.096 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.439 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.353 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -116.57 124.69 50.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.8 mtt -95.22 111.07 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -104.2 147.2 27.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.4 t -121.05 135.28 55.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.295 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.0 m-85 -112.03 153.86 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.994 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.16 7.98 25.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.096 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.631 ' OD1' HG23 ' A' ' 96' ' ' VAL . 23.6 t-20 -152.88 123.24 7.15 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 97' ' ' MET . 24.3 ttm105 -59.51 -39.85 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -43.54 92.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.121 0.486 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.631 HG23 ' OD1' ' A' ' 93' ' ' ASN . 66.3 t -69.97 -33.13 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.624 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.58 -31.18 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.57 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 97' ' ' MET . 52.3 t0 -78.47 -27.66 46.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.34 -31.57 62.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 104' ' ' LEU . 37.5 mm -84.29 -43.51 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.785 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HD3' HD21 ' A' ' 60' ' ' LEU . 27.0 ttpp -60.76 -31.67 71.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.4 tpp -80.06 -46.28 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.231 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -63.51 -41.36 98.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.536 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.893 ' CD2' HD11 ' A' ' 18' ' ' ILE . 77.5 mt -66.27 -32.88 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -67.71 -32.03 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.86 -41.53 95.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.152 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.73 HD13 ' CD1' ' A' ' 42' ' ' LEU . 34.7 mt -56.61 -45.68 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.704 HD11 ' CD1' ' A' ' 48' ' ' LEU . 6.4 mm -51.24 -52.81 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.831 0.824 . . . . 0.0 110.338 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -30.98 66.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.013 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -73.94 -33.12 63.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -74.75 -28.81 60.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -74.52 -38.67 62.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.674 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.01 -37.46 76.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.43 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo . . . . . 0 N--CA 1.476 0.496 0 CA-C-O 120.859 0.275 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -76.59 -33.78 58.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -78.09 -22.53 48.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.355 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.4 p -122.42 128.55 51.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.073 0.464 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.51 156.69 27.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.827 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -70.02 138.88 52.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 111.269 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.34 146.72 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.927 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.0 mt -96.56 143.29 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.119 0.485 . . . . 0.0 111.343 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.531 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -144.43 106.32 4.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.939 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 78.08 49.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt 62.38 12.88 5.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 8' ' ' ILE . 84.0 t -123.93 137.87 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 t -102.09 144.29 30.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.454 0.645 . . . . 0.0 111.851 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.66 -179.97 39.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.311 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.33 128.4 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.157 0.503 . . . . 0.0 111.113 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.841 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.55 121.8 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.852 -179.2 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.55 143.59 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.62 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -100.77 114.91 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.7 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -99.99 109.61 21.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 1.1 pp20? -112.59 -6.51 13.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.948 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.73 -19.67 59.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.675 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.3 -162.07 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.675 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.8 p -165.82 113.41 0.78 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 65.2 Cg_endo -73.44 151.73 97.4 Favored 'Cis proline' 0 C--N 1.347 0.472 0 C-N-CA 123.503 -1.457 . . . . 0.0 112.461 0.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.32 172.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.701 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -155.7 149.37 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.841 HD11 HG23 ' A' ' 16' ' ' ILE . 8.5 tp -100.47 117.42 34.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.482 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 145.49 24.43 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.981 0.419 . . . . 0.0 111.549 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.27 111.49 10.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.638 ' HG2' HG22 ' A' ' 37' ' ' VAL . 50.3 mtp180 -105.62 128.25 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.43 161.78 8.91 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -32.72 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.372 0.606 . . . . 0.0 109.962 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -73.35 -32.81 64.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.992 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 25.44 48.12 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.046 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -109.95 -19.97 12.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.252 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.59 126.27 43.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' A' ' 30' ' ' ARG . 23.5 t -123.83 122.69 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.211 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' TRP . 36.1 t-80 -108.91 142.14 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.5 m -122.46 134.71 54.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.761 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.78 146.1 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.384 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.608 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.2 t -92.44 122.42 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.733 HD13 HD13 ' A' ' 107' ' ' ILE . 11.8 mt -85.7 -11.84 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.511 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.444 ' H ' HG12 ' A' ' 41' ' ' VAL . 7.6 t -80.03 -25.44 40.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.0 110.748 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.608 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.8 t -93.57 15.98 14.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.609 HG13 HD23 ' A' ' 62' ' ' LEU . 34.8 mm -98.84 95.42 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -59.52 -31.33 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.696 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -163.43 171.0 16.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.851 HD21 ' HG2' ' A' ' 105' ' ' GLN . 3.3 pp -127.32 115.3 18.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -103.06 146.63 28.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.79 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -141.63 157.95 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 59' ' ' MET . 76.8 p -70.55 148.92 95.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.45 161.74 44.69 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.622 2.215 . . . . 0.0 112.384 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.8 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.516 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m -89.63 0.19 57.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.3 m -106.97 113.29 26.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.653 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.01 -18.79 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -89.01 115.96 26.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.408 ' HE2' ' N ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -90.77 115.74 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.674 ' O ' HG23 ' A' ' 51' ' ' THR . 70.5 mtp -151.01 133.15 15.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.019 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.79 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -115.39 119.85 37.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.722 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -105.27 138.11 41.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.609 HD23 HG13 ' A' ' 45' ' ' ILE . 1.6 mp -117.29 127.52 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.1 mm -81.6 119.12 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.58 49.58 3.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.593 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mttt 50.09 -176.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 111.218 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.9 t -107.87 -67.87 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -78.98 127.8 32.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -147.82 38.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.986 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.5 m -72.48 -26.49 61.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -89.45 -29.14 19.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.002 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -82.78 141.9 31.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.5 mtp-105 -61.01 131.91 52.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -78.4 145.96 34.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 48.5 t0 -62.65 -24.89 67.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 74' ' ' ASP . 14.3 m120 72.67 1.56 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.798 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -98.23 64.91 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.6 9.23 53.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.825 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -95.6 132.88 40.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.735 0.302 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -111.32 171.27 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.2 t -58.97 -35.74 58.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.69 108.83 1.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.182 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.74 118.89 5.19 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.429 2.086 . . . . 0.0 112.375 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -150.93 147.41 20.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.33 131.92 18.47 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.541 2.16 . . . . 0.0 112.383 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -110.16 126.19 53.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.766 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -119.32 139.33 52.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.063 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -110.75 109.48 19.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.2 ttp -97.01 124.0 40.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -111.12 153.82 25.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.535 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -117.83 119.58 35.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.351 179.594 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.441 ' CG ' ' HB3' ' A' ' 97' ' ' MET . 27.8 m-85 -98.81 135.09 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.577 ' OD1' HD11 ' A' ' 8' ' ' ILE . 29.9 m120 -97.96 12.17 35.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.266 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.559 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.6 m120 -151.44 122.73 7.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.572 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 59.6 ttm-85 -61.06 -45.46 94.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.645 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -34.78 78.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 121.164 0.507 . . . . 0.0 110.742 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 93' ' ' ASN . 92.3 t -70.61 -38.33 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.572 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 20.4 ptm -72.97 -33.22 65.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.362 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.21 -29.73 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -72.16 -32.63 67.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.65 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.4 mm -86.14 -43.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HB2' HD11 ' A' ' 60' ' ' LEU . 31.4 ttmt -53.5 -51.27 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.354 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtt -67.11 -33.51 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.226 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -38.44 66.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.62 ' CD2' HD11 ' A' ' 18' ' ' ILE . 69.0 mt -67.77 -32.81 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.851 ' HG2' HD21 ' A' ' 48' ' ' LEU . 89.3 mt-30 -66.95 -32.97 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -65.1 -41.88 94.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 42' ' ' LEU . 85.4 mt -57.51 -43.08 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.528 HG13 HD23 ' A' ' 48' ' ' LEU . 5.0 mm -53.01 -52.5 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.822 0.82 . . . . 0.0 110.341 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 m -55.58 -31.18 61.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.17 -1.377 . . . . 0.0 111.175 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -71.58 -32.68 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 24.0 m-85 -71.61 -28.54 63.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.677 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -70.17 -33.91 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.79 -37.67 79.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.29 72.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.865 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.476 0.448 0 CA-C-O 120.805 0.252 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -159.98 -45.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -59.05 -25.37 63.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.6 p -117.12 127.52 54.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.07 147.58 16.79 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.937 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.63 138.52 58.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 111.371 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.43 148.03 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.715 HD12 ' HB3' ' A' ' 90' ' ' SER . 29.7 mt -96.5 143.18 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.143 0.496 . . . . 0.0 111.409 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.1 t80 -144.66 106.34 4.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.934 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.2 mt-10 78.01 49.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.21 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt 62.55 12.8 5.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 8' ' ' ILE . 86.1 t -124.12 138.68 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 26.0 t -101.53 144.81 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 0.0 111.911 -178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.05 -179.98 39.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.37 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.63 126.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.209 0.528 . . . . 0.0 111.234 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.652 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.61 119.72 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.586 -179.594 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.59 142.52 46.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -106.42 108.59 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.65 109.75 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.97 -14.9 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.09 -24.66 10.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.927 0.394 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.94 154.06 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.835 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -138.65 107.79 7.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 14.5 Cg_exo -68.97 150.09 87.61 Favored 'Cis proline' 0 C--N 1.347 0.487 0 C-N-CA 123.561 -1.433 . . . . 0.0 112.36 0.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 172.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -156.17 155.78 33.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.894 0.378 . . . . 0.0 111.346 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD21 HG23 ' A' ' 16' ' ' ILE . 9.8 tt -113.35 116.93 30.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.511 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.29 147.32 25.58 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 121.104 0.478 . . . . 0.0 111.948 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.4 t90 -132.69 110.57 10.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.573 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.704 ' HG2' HG22 ' A' ' 37' ' ' VAL . 81.8 mtm180 -104.74 127.15 52.42 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -61.43 160.13 11.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.77 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -32.39 70.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.492 0.663 . . . . 0.0 110.116 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -72.22 -32.73 67.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.082 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.48 24.64 50.03 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.983 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.32 -19.74 12.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -124.92 126.32 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.731 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 ' HG2' ' A' ' 30' ' ' ARG . 38.6 t -124.93 120.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' TRP . 20.1 t-80 -108.83 142.26 39.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.372 0.606 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 m -114.94 130.28 56.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.564 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 21.3 t -110.03 136.26 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 43' ' ' SER . 23.9 t -92.23 125.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.1 HD13 HD13 ' A' ' 107' ' ' ILE . 11.4 mt -88.04 -11.7 46.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.794 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.484 ' H ' HG12 ' A' ' 41' ' ' VAL . 5.3 t -79.21 -29.33 42.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.842 0.354 . . . . 0.0 110.627 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -81.7 -20.41 39.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.641 HG13 HD23 ' A' ' 62' ' ' LEU . 31.0 mm -66.43 97.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.9 -28.82 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.606 ' CG ' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -163.31 169.2 19.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 108' ' ' ILE . 1.2 pt? -142.49 135.09 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -130.79 162.71 28.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB3' ' HE2' ' A' ' 101' ' ' LYS . . . -141.51 162.33 35.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 59' ' ' MET . 7.0 p -70.46 147.55 94.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.04 160.2 48.4 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.507 2.138 . . . . 0.0 112.422 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.66 -11.48 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -89.8 -1.09 57.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.378 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -105.11 113.92 27.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.6 -18.7 32.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.752 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -92.53 125.74 37.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -94.86 121.0 36.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.561 ' C ' HD12 ' A' ' 60' ' ' LEU . 42.2 ttm -151.12 127.93 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 91' ' ' PHE . 7.8 mp -115.18 118.58 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.688 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -102.93 139.96 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.641 HD23 HG13 ' A' ' 45' ' ' ILE . 1.2 mp -125.01 125.04 43.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.606 HD13 ' CG ' ' A' ' 47' ' ' LYS . 4.8 mp -98.28 135.76 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.44 -175.22 50.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.548 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -119.65 -177.15 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.8 HG22 ' HD3' ' A' ' 84' ' ' PRO . 17.6 t -114.75 139.45 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -72.97 63.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -155.57 43.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.4 p -59.0 -24.76 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.08 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.24 -35.31 76.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -108.7 140.73 41.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -113.93 125.86 54.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.689 ' HE2' HG13 ' A' ' 80' ' ' VAL . 47.4 mttp -73.77 164.5 26.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -110.44 -177.21 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -120.31 0.77 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.43 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -85.23 56.68 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.971 0.415 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.15 16.04 63.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.718 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 125.99 30.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.785 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -100.35 160.0 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.977 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.689 HG13 ' HE2' ' A' ' 73' ' ' LYS . 22.0 t -117.09 134.22 61.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.7 m -89.67 159.26 43.97 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.11 137.02 54.27 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.521 2.147 . . . . 0.0 112.262 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 84' ' ' PRO . 1.6 mmtp 179.86 -61.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.8 ' HD3' HG22 ' A' ' 66' ' ' VAL . 44.2 Cg_endo -68.33 137.84 41.08 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.476 2.118 . . . . 0.0 112.431 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -100.02 149.84 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.757 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -114.84 134.88 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.87 115.75 26.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.8 mtm -101.37 113.08 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -103.09 142.68 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.715 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -113.66 125.72 54.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.433 179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.703 ' CD1' HD13 ' A' ' 60' ' ' LEU . 32.8 m-85 -104.1 139.77 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.106 0.479 . . . . 0.0 111.873 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -99.68 9.39 43.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.305 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -152.43 125.82 8.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 97' ' ' MET . 4.6 tmm_? -60.7 -42.63 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -42.08 96.56 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.39 -32.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.718 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -76.97 -31.64 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 97' ' ' MET . 89.3 m-20 -81.7 -26.81 34.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.56 -30.95 61.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.03 -41.47 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -51.36 -42.4 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.469 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -68.64 -46.16 69.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 111.468 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -43.58 93.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.559 ' CD2' HD11 ' A' ' 18' ' ' ILE . 90.1 mt -64.37 -37.4 87.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HA ' HD11 ' A' ' 48' ' ' LEU . 91.4 mt-30 -67.78 -33.32 74.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.78 -39.89 87.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 1.1 HD13 HD13 ' A' ' 42' ' ' LEU . 80.3 mt -59.14 -42.95 88.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.117 0.484 . . . . 0.0 109.866 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.596 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -52.5 -52.55 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.756 0.789 . . . . 0.0 110.216 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.6 m -55.12 -31.26 61.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -72.28 -32.74 66.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.69 -32.53 63.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.582 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -73.59 -34.94 65.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.84 -39.37 88.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.61 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.899 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.476 0.476 0 CA-C-O 120.788 0.245 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -120.89 149.01 43.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 60.75 27.41 17.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 p -179.9 121.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.64 154.16 25.21 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.86 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.86 138.37 57.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.377 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.647 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -153.17 148.34 26.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.736 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.2 mt -96.53 143.18 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 111.377 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -145.3 106.32 4.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.939 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.89 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.275 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp 62.01 14.06 6.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.7 t -125.3 140.0 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -102.74 146.38 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.596 . . . . 0.0 111.841 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.02 -179.95 40.37 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.405 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.01 127.54 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.3 0.571 . . . . 0.0 111.159 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.68 119.16 49.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.608 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.39 143.58 44.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -99.81 114.31 37.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.912 0.387 . . . . 0.0 110.673 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -103.72 109.73 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 96.0 mt-10 -109.56 -6.81 15.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.05 -20.17 56.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.62 -162.05 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.682 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.4 p -166.5 113.38 0.72 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 59.9 Cg_endo -72.19 152.18 96.86 Favored 'Cis proline' 0 C--N 1.347 0.451 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.39 0.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.15 156.45 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.63 150.2 43.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.9 tt -107.32 116.78 32.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.484 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.04 147.29 25.76 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.835 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -133.1 110.28 10.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.547 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.49 ' HG3' HG22 ' A' ' 37' ' ' VAL . 59.5 ttt85 -104.75 126.79 52.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 t -60.26 160.25 8.71 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.808 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 -32.01 70.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.378 0.609 . . . . 0.0 110.022 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -70.69 -33.03 70.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.97 48.16 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.997 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.58 -19.74 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.728 0.299 . . . . 0.0 111.335 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -124.67 126.76 46.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.742 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.49 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.9 t -126.58 121.77 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.061 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 29' ' ' TRP . 14.9 t-80 -108.92 142.24 39.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 m -114.27 131.39 56.52 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.657 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 32.8 t -110.64 138.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.861 ' O ' HG22 ' A' ' 44' ' ' THR . 22.2 t -92.64 111.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 107' ' ' ILE . 23.8 mt -71.27 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.617 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.44 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -76.94 -29.31 55.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.861 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -78.61 -25.06 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 62' ' ' LEU . 29.9 mm -70.73 102.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -87.27 -23.64 24.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -148.86 162.59 39.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 HG13 ' A' ' 108' ' ' ILE . 1.4 pp -134.09 115.61 14.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -113.13 124.62 53.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -115.48 162.34 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 59' ' ' MET . 54.4 p -70.35 149.65 95.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.49 152.63 80.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.648 2.232 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -16.3 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.531 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.5 m -89.75 -0.3 57.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.316 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -107.0 113.41 26.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.366 . . . . 0.0 110.731 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.8 -18.83 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -76.54 115.01 15.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -94.01 106.1 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.685 ' O ' HG23 ' A' ' 51' ' ' THR . 50.6 mtt -151.11 138.7 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.542 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 24.9 tp -115.39 127.91 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.778 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.618 ' HE ' HD11 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -109.34 133.8 52.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 45' ' ' ILE . 2.7 mp -120.38 129.96 54.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.618 HD11 ' HE ' ' A' ' 61' ' ' ARG . 14.7 mm -101.39 138.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.198 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.88 -175.44 41.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -73.61 -175.69 2.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.833 0.349 . . . . 0.0 111.055 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.72 134.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.573 ' HA ' HG23 ' A' ' 81' ' ' VAL . 44.1 p30 -75.38 172.37 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -116.8 39.77 3.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.4 m -56.75 -24.19 48.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.025 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -58.71 -34.88 71.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -97.34 146.98 24.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -108.0 124.2 49.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.609 ' NZ ' HG12 ' A' ' 80' ' ' VAL . 64.4 mttp -95.37 160.32 14.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.39 -26.62 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 t30 75.83 1.22 3.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.685 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -82.41 59.73 4.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.914 0.388 . . . . 0.0 110.765 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.93 11.02 68.45 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.694 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -73.23 144.03 46.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -100.45 145.41 28.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.609 HG12 ' NZ ' ' A' ' 73' ' ' LYS . 30.2 m -126.77 153.2 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 67' ' ' ASP . 11.3 m -73.37 138.51 78.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.76 152.09 29.67 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.522 2.148 . . . . 0.0 112.251 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -60.32 160.55 17.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.44 93.24 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.52 2.147 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -96.73 135.41 38.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.81 143.22 43.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -114.69 111.95 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.7 mtm -91.88 118.01 30.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -112.82 156.96 21.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.598 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -126.66 119.97 28.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.485 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CG ' ' HB3' ' A' ' 97' ' ' MET . 27.4 m-85 -98.32 138.54 35.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.059 0.457 . . . . 0.0 111.792 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.496 ' OD1' HD11 ' A' ' 8' ' ' ILE . 27.9 m120 -100.11 12.77 36.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.387 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.537 ' HB3' HG23 ' A' ' 96' ' ' VAL . 19.5 m-80 -152.92 128.23 9.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.354 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.549 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 62.0 ttp180 -63.2 -45.2 92.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -34.75 78.63 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.136 0.493 . . . . 0.0 110.731 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 93' ' ' ASN . 86.4 t -70.58 -38.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.859 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 23.1 ptm -73.65 -34.16 64.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.404 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -76.0 -29.46 58.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -71.95 -33.5 68.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.698 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.4 mm -86.23 -43.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 23.8 ttpp -53.6 -35.19 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.297 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.0 -49.84 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.04 0.448 . . . . 0.0 111.156 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -38.25 87.12 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.665 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.622 HD21 HD12 ' A' ' 27' ' ' LEU . 48.2 mt -67.09 -35.77 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.585 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.43 ' HA ' HG12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -68.84 -33.96 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 110.577 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.3 -39.53 89.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.129 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 1.013 HD13 HD13 ' A' ' 42' ' ' LEU . 76.3 mt -58.45 -44.39 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.788 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.623 HG13 HD23 ' A' ' 48' ' ' LEU . 4.8 mm -52.0 -52.46 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-O 121.82 0.819 . . . . 0.0 110.297 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.1 m -53.74 -29.59 40.32 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.24 -1.345 . . . . 0.0 111.271 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -71.77 -34.88 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 53.1 m-85 -71.83 -31.25 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.726 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -73.85 -39.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.762 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.12 -37.32 76.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.95 -32.71 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.802 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.476 0.494 0 CA-C-O 120.838 0.266 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -96.89 23.95 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -93.56 161.37 14.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.43 ' O ' HD11 ' A' ' 100' ' ' ILE . 16.3 p 58.14 170.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.22 142.85 3.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.073 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.33 138.76 58.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.995 0.426 . . . . 0.0 111.415 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.655 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.42 146.84 22.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.692 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.5 mt -96.56 143.1 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.08 0.467 . . . . 0.0 111.203 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.2 t80 -144.39 106.25 4.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.945 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.18 49.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 62.15 12.86 5.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 8' ' ' ILE . 94.7 t -123.7 137.71 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -101.79 143.97 31.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.846 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.73 -179.92 39.06 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.302 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.85 127.58 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.69 117.87 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.536 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.42 142.7 41.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.687 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -107.18 117.02 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -110.35 109.63 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -108.76 -1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.871 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.27 -19.48 65.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.268 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.69 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -94.26 -162.05 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.855 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.69 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.48 112.86 0.81 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.17 150.54 95.72 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.759 -1.35 . . . . 0.0 112.402 0.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.26 170.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.622 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.75 160.89 39.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.932 0.396 . . . . 0.0 111.489 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.607 HD21 HG23 ' A' ' 16' ' ' ILE . 9.3 tt -119.88 113.91 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.408 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.12 147.27 25.71 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.824 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.0 t90 -132.12 109.96 10.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.622 ' HG2' HG22 ' A' ' 37' ' ' VAL . 30.6 mtm105 -104.92 127.56 52.81 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.1 p -60.54 161.44 7.6 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.735 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.19 -32.55 71.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.384 0.611 . . . . 0.0 109.992 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -73.55 -32.69 64.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.5 25.47 46.9 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.056 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -109.43 -20.98 12.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -125.67 126.91 45.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 ' HG2' ' A' ' 30' ' ' ARG . 23.0 t -124.85 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' TRP . 27.9 t-80 -108.9 142.29 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.222 0.534 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 m -115.28 132.3 56.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.853 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 22.4 t -114.82 139.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.235 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 43' ' ' SER . 25.0 t -92.45 123.99 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.908 HD13 HD13 ' A' ' 107' ' ' ILE . 16.9 mt -88.01 -11.66 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.643 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.439 ' H ' HG12 ' A' ' 41' ' ' VAL . 78.7 p -79.24 -28.67 42.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -82.47 -20.57 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.761 HG13 HD23 ' A' ' 62' ' ' LEU . 34.6 mm -64.81 94.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -63.36 -29.84 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.69 166.1 29.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.816 HD11 ' HG2' ' A' ' 105' ' ' GLN . 2.5 pt? -131.36 128.38 39.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -125.28 152.18 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.044 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -140.0 164.62 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.064 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.722 HG21 ' O ' ' A' ' 57' ' ' LYS . 7.1 p -70.35 146.52 94.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 159.08 54.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.547 2.165 . . . . 0.0 112.441 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.0 -17.46 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.412 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.15 57.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.382 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -107.02 112.61 25.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.0 110.616 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -56.86 -19.29 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.828 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.722 ' O ' HG21 ' A' ' 51' ' ' THR . 33.3 mttm -85.89 91.57 8.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 ptp -78.98 104.56 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.778 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 56.3 mtt -145.44 143.07 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.044 HD12 ' HB2' ' A' ' 50' ' ' ALA . 10.1 tp -115.35 124.4 51.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -112.71 136.69 52.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD23 HG13 ' A' ' 45' ' ' ILE . 2.3 mp -118.24 128.68 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.603 HG23 ' HG2' ' A' ' 86' ' ' ARG . 3.6 mp -94.78 133.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.154 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.61 73.71 0.25 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.2 mttt 55.3 166.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.945 0.402 . . . . 0.0 111.475 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.427 HG13 ' HG3' ' A' ' 84' ' ' PRO . 31.4 t -133.78 137.55 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.023 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -78.75 99.08 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -115.6 38.89 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.5 m -92.09 13.95 17.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.278 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -99.19 -40.93 7.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp 57.98 104.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 62.81 129.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -97.42 145.89 25.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 92.8 m-20 -62.8 -27.52 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 74' ' ' ASP . 65.9 m-20 72.09 1.08 3.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.814 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -84.45 57.68 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.59 -24.49 29.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.641 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.5 p30 -98.81 29.64 3.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.5 -38.13 80.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 81' ' ' VAL . 30.5 m -136.17 138.16 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 80' ' ' VAL . 5.0 m -159.46 147.53 13.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 150.33 66.48 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.522 2.148 . . . . 0.0 112.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 6.2 mttt 179.38 -54.57 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.018 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.427 ' HG3' HG13 ' A' ' 66' ' ' VAL . 50.3 Cg_exo -53.48 135.61 61.59 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.412 2.075 . . . . 0.0 112.29 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -98.18 118.16 34.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG2' HG23 ' A' ' 63' ' ' ILE . 92.7 mtt180 -131.63 136.14 47.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -105.64 111.76 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -97.78 112.71 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -106.89 150.37 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.9 t -120.89 125.94 48.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.8 m-85 -99.71 137.27 38.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 111.804 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.84 6.52 48.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.369 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -150.49 123.07 8.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 61.6 ttp180 -62.66 -30.87 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.92 -46.67 51.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.166 0.508 . . . . 0.0 110.11 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.88 -29.71 45.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.689 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.454 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.22 -32.31 61.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.583 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.1 t0 -74.65 -28.99 61.09 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -72.4 -30.39 64.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.582 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.3 mm -86.08 -43.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.464 ' HD2' ' HB3' ' A' ' 50' ' ' ALA . 24.0 ttpp -58.42 -34.99 71.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.6 mtm -82.1 -43.7 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.953 0.406 . . . . 0.0 111.38 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.4 t -65.49 -39.98 92.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.687 ' CD2' HD11 ' A' ' 18' ' ' ILE . 26.3 mt -66.39 -31.99 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.89 -32.79 74.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.727 179.799 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.87 -42.13 95.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.304 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.908 HD13 HD13 ' A' ' 42' ' ' LEU . 82.5 mt -57.23 -43.36 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.897 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.72 HG13 HD22 ' A' ' 48' ' ' LEU . 6.6 mm -52.62 -52.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 CA-C-O 121.732 0.777 . . . . 0.0 110.125 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -56.24 -31.33 63.44 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.328 -1.306 . . . . 0.0 111.131 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.69 -32.64 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 17.5 m-85 -73.94 -28.63 61.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -32.02 65.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.708 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.08 -37.31 76.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.01 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.924 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.476 0.447 0 CA-C-O 120.859 0.274 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 59.01 167.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.7 m80 62.9 128.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 m 62.98 127.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.39 164.8 36.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.678 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -68.47 137.87 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.089 0.471 . . . . 0.0 111.305 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.638 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.32 147.31 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.736 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 90' ' ' SER . 29.6 mt -96.5 143.08 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 111.432 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.6 t80 -144.46 106.34 4.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.908 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.04 49.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 62.36 12.97 5.64 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 8' ' ' ILE . 87.1 t -124.13 138.31 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -101.89 144.99 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.374 0.607 . . . . 0.0 111.895 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.01 -179.94 39.82 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.288 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.25 127.69 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.573 . . . . 0.0 111.161 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.658 HG23 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.51 116.24 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.297 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.42 142.98 39.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -103.55 113.64 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -103.82 109.73 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.5 -5.36 15.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.906 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.48 -19.88 64.0 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.351 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.56 -161.97 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 110.71 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.678 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.77 113.11 0.69 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' CB ' ' HB3' ' A' ' 43' ' ' SER . 8.3 Cg_exo -72.3 151.66 96.46 Favored 'Cis proline' 0 C--N 1.347 0.45 0 C-N-CA 123.779 -1.342 . . . . 0.0 112.319 -0.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.38 169.88 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.662 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -154.54 152.85 30.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 111.359 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.749 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.7 tt -111.51 114.25 27.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.596 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.39 147.29 25.51 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.764 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -131.48 109.95 10.65 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.46 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.816 ' HG3' HG22 ' A' ' 37' ' ' VAL . 10.8 ttt180 -104.1 127.84 51.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.6 p -62.44 160.2 14.03 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.745 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -31.96 71.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.414 0.626 . . . . 0.0 110.079 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -71.37 -32.35 68.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.1 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.87 24.29 49.67 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.077 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.92 -20.11 11.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.722 0.296 . . . . 0.0 111.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 126.29 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.816 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.3 t -126.61 119.01 52.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' TRP . 29.2 t-80 -109.08 142.34 39.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.229 0.538 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -114.86 130.75 56.94 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.761 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -114.4 141.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.363 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG22 ' A' ' 44' ' ' THR . 18.0 t -92.62 122.84 44.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD21 ' HB2' ' A' ' 27' ' ' LEU . 28.2 mt -88.15 -11.69 46.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.591 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.41 ' HB3' ' CB ' ' A' ' 24' ' ' PRO . 60.6 p -80.24 -28.84 38.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.801 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.4 t -81.45 -21.77 38.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.686 HG13 HD23 ' A' ' 62' ' ' LEU . 31.2 mm -62.39 94.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.26 -29.7 70.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.022 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -157.79 169.68 24.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -127.61 128.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -125.63 152.62 44.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.55 164.48 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 59' ' ' MET . 1.0 OUTLIER -70.56 151.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.79 155.58 69.34 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.41 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -12.76 61.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.522 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 m -89.84 0.42 57.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.285 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -107.14 114.18 28.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.926 0.394 . . . . 0.0 110.627 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.84 -18.98 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.97 115.65 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.811 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.576 ' HE3' ' HG3' ' A' ' 94' ' ' ARG . 3.2 mpp? -87.82 124.85 34.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.508 ' HB2' HG23 ' A' ' 51' ' ' THR . 71.4 mtp -151.02 140.3 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 50' ' ' ALA . 12.4 tp -115.35 125.84 53.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.793 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -109.08 129.76 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.686 HD23 HG13 ' A' ' 45' ' ' ILE . 2.9 mp -117.89 130.55 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 63' ' ' ILE . 2.8 mp -106.48 132.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.2 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.2 -173.76 49.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -69.12 166.62 17.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 84' ' ' PRO . 25.2 t -127.15 -67.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.197 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -86.56 116.99 25.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.95 39.29 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.6 p -67.06 -22.17 65.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -59.13 -35.12 72.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -85.31 140.53 30.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -78.56 129.11 34.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -78.88 146.14 33.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.87 -28.28 67.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t30 75.68 1.05 3.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.705 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -96.16 39.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.85 36.14 91.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -97.26 24.59 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.642 0.258 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -115.41 133.47 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 80' ' ' VAL . 13.4 p -178.26 44.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.5 m -127.22 78.04 74.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.46 -27.25 46.91 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.559 2.173 . . . . 0.0 112.296 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -130.91 156.48 79.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.878 ' HB3' HG22 ' A' ' 66' ' ' VAL . 49.4 Cg_endo -69.03 155.1 69.4 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.512 2.142 . . . . 0.0 112.292 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -99.92 127.69 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.67 143.82 50.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -105.32 116.43 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.414 ' HB3' ' HE3' ' A' ' 88' ' ' MET . 3.4 tmm? -92.8 120.02 32.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 78.5 m-85 -113.86 159.06 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.719 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -126.47 121.04 31.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.528 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 96' ' ' VAL . 29.7 m-85 -100.97 143.41 31.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 111.712 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -100.63 9.24 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.496 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -156.86 130.65 8.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 111.36 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.576 ' HG3' ' HE3' ' A' ' 58' ' ' MET . 95.9 mtt180 -60.72 -40.6 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.673 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.079 0.466 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.481 HG12 ' CE2' ' A' ' 91' ' ' PHE . 62.9 t -72.41 -33.6 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.613 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.442 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -78.52 -30.6 47.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.541 179.641 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -84.31 -25.64 29.11 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -74.01 -32.45 63.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.7 mm -84.27 -43.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.761 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.522 ' HB2' HD13 ' A' ' 60' ' ' LEU . 18.7 ttpp -59.15 -32.81 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.3 tpp -77.89 -48.07 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 t -63.79 -39.91 95.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.316 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.549 ' CD2' HD11 ' A' ' 18' ' ' ILE . 34.9 mt -65.5 -32.72 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.421 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -66.4 -33.47 75.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.43 -41.55 96.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.735 HD13 HD13 ' A' ' 42' ' ' LEU . 79.4 mt -57.15 -43.9 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.827 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.466 HD11 HD13 ' A' ' 48' ' ' LEU . 7.0 mm -52.29 -52.27 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.758 0.79 . . . . 0.0 110.196 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -53.93 -30.02 44.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.253 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -36.59 69.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -74.54 -30.47 61.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -76.18 -31.2 58.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.97 -37.25 76.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.77 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 53.5 t0 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 N--CA 1.476 0.484 0 CA-C-O 120.836 0.265 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -160.93 -45.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -103.28 161.37 13.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.64 ' O ' HD11 ' A' ' 100' ' ' ILE . 21.8 p 57.65 172.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.14 150.26 5.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.054 -0.594 . . . . 0.0 111.985 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.27 139.8 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.937 0.399 . . . . 0.0 111.305 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.628 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.77 148.11 20.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.806 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.721 HD12 ' HB2' ' A' ' 90' ' ' SER . 29.2 mt -96.49 143.31 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.084 0.468 . . . . 0.0 111.338 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.71 106.36 4.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.018 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 77.87 49.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.255 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt 62.02 14.17 6.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.1 t -125.33 139.98 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.2 m -102.28 147.71 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.393 0.616 . . . . 0.0 111.84 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -168.52 -179.85 41.07 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.69 128.0 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.291 0.567 . . . . 0.0 111.156 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.944 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.52 120.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.634 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -118.5 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 27' ' ' LEU . 1.2 mt -105.87 108.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -98.34 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -90.81 -16.32 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -53.03 -24.32 9.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.596 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.57 154.03 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.874 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.33 107.49 7.27 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 16.7 Cg_exo -67.66 150.11 83.69 Favored 'Cis proline' 0 C--N 1.347 0.463 0 C-N-CA 123.582 -1.424 . . . . 0.0 112.468 0.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.46 172.18 0.1 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.994 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.85 161.11 42.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.747 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.944 HD11 HG23 ' A' ' 16' ' ' ILE . 19.2 tp -116.99 115.05 24.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.379 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 146.97 23.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.101 0.477 . . . . 0.0 111.999 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -134.15 110.0 9.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.466 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.6 ttt85 -103.18 126.54 50.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -60.54 161.49 7.54 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.004 0.43 . . . . 0.0 110.783 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -32.16 71.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.988 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.37 -33.26 71.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.01 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.34 25.41 47.78 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.009 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -114.1 -19.02 11.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.714 0.292 . . . . 0.0 111.424 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -126.0 127.51 46.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.65 122.2 61.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' TRP . 20.7 t-80 -108.79 142.27 39.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -118.4 133.57 55.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 t -117.84 143.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 43' ' ' SER . 18.3 t -90.49 124.1 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 107' ' ' ILE . 20.2 mt -88.04 -11.73 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.661 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.449 ' H ' HG12 ' A' ' 41' ' ' VAL . 6.2 t -79.97 -30.18 39.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.77 0.319 . . . . 0.0 110.739 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.434 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.2 t -79.46 -24.01 42.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.717 HG13 HD23 ' A' ' 62' ' ' LEU . 31.7 mm -59.84 93.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.74 -30.9 69.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -160.27 166.65 29.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 104' ' ' LEU . 9.5 mp -117.37 134.89 54.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.763 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -127.95 143.89 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.53 156.28 45.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 p -73.12 153.27 90.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.36 157.36 62.16 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.5 -11.77 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.577 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -89.74 -0.03 57.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.363 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 61.8 m -107.07 113.91 27.65 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.876 0.37 . . . . 0.0 110.658 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.04 -18.86 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 100.46 13.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtm -78.69 120.57 23.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 76.9 mtp -151.04 136.68 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 50' ' ' ALA . 17.4 tp -115.29 117.34 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -103.91 131.55 51.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.035 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.717 HD23 HG13 ' A' ' 45' ' ' ILE . 2.7 mp -116.3 129.44 56.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.688 HG23 ' HG2' ' A' ' 86' ' ' ARG . 3.9 mp -104.84 129.76 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.86 171.49 46.91 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.337 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -99.2 -178.56 3.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.765 0.317 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 p -98.22 130.82 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.206 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -135.87 131.91 35.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -109.57 36.28 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m -87.64 -22.97 24.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -60.03 -34.82 73.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.7 tptm 59.56 102.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -59.92 131.8 51.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -99.66 170.66 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -81.17 -20.59 40.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -80.5 -0.91 39.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.448 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -98.93 32.5 2.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 110.988 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.87 16.16 7.41 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.987 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 45.99 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 0.0 111.468 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 58.82 50.46 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.008 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -126.51 153.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.3 m -141.86 150.27 55.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.26 147.11 65.36 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.578 2.185 . . . . 0.0 112.292 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.88 138.06 12.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.33 139.41 49.71 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.383 2.055 . . . . 0.0 112.289 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -98.02 137.0 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.688 ' HG2' HG23 ' A' ' 63' ' ' ILE . 91.4 mtt180 -116.75 137.27 52.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.059 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -115.9 121.21 41.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -103.25 122.73 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -114.4 157.44 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.721 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -124.16 121.05 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.9 m-85 -99.66 140.65 33.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 0.0 111.853 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.642 ' OD1' HD11 ' A' ' 8' ' ' ILE . 87.2 m-20 -101.97 12.5 36.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.4 m120 -153.43 131.38 11.74 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.931 0.396 . . . . 0.0 111.277 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.572 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 87.5 mtt180 -65.96 -48.29 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -34.66 78.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 110.715 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' HB3' ' A' ' 93' ' ' ASN . 93.0 t -70.46 -38.64 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.955 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.572 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 16.8 ptm -73.16 -32.76 65.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.507 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -74.89 -29.41 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.85 -33.16 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.64 HD11 ' O ' ' A' ' 4' ' ' SER . 39.0 mm -86.17 -43.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.967 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -59.4 -33.42 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -79.67 -42.99 23.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.411 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.482 HG23 HD13 ' A' ' 18' ' ' ILE . 1.3 t -66.19 -38.62 88.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.875 ' HB3' HD21 ' A' ' 48' ' ' LEU . 72.3 mt -67.05 -34.42 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HA ' HG12 ' A' ' 108' ' ' ILE . 36.8 mt-30 -66.91 -32.54 73.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.52 -40.69 93.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.848 HD13 HD13 ' A' ' 42' ' ' LEU . 55.5 mt -58.17 -43.36 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.173 0.511 . . . . 0.0 109.819 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.499 HD11 HD11 ' A' ' 48' ' ' LEU . 6.8 mm -52.54 -52.24 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.848 0.832 . . . . 0.0 110.215 178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.7 m -53.39 -30.02 37.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.243 -1.344 . . . . 0.0 111.277 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -71.29 -33.92 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -74.62 -31.87 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.69 -31.78 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.833 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.69 -38.09 80.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.15 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.949 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo . . . . . 0 N--CA 1.477 0.519 0 CA-C-O 120.814 0.256 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -122.0 150.32 42.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.5 m80 60.73 27.36 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.9 p -179.14 118.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.81 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.95 155.45 26.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.899 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 138.22 56.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.45 . . . . 0.0 111.393 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.634 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -153.05 147.42 25.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.673 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.3 mt -96.43 143.19 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.117 0.484 . . . . 0.0 111.319 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.36 106.34 4.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.4 mt-10 77.96 49.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.295 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 62.18 13.81 6.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 8' ' ' ILE . 89.0 t -124.71 139.6 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -102.83 145.77 29.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.43 0.633 . . . . 0.0 111.792 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.34 -179.93 39.99 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.528 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.68 126.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 111.045 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.6 119.07 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.679 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.5 143.33 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.605 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -102.77 118.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.741 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -108.25 109.67 21.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -110.6 -5.98 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -61.53 -19.65 62.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.687 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -96.71 -161.9 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 120.808 0.337 . . . . 0.0 110.817 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.687 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.0 p -166.2 113.14 0.74 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.15 151.37 96.99 Favored 'Cis proline' 0 C--N 1.347 0.486 0 C-N-CA 123.494 -1.461 . . . . 0.0 112.53 0.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.39 170.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.637 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -156.85 146.64 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.508 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.1 tt -106.97 114.12 28.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.399 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.25 25.84 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.026 0.441 . . . . 0.0 111.797 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.2 t90 -131.89 109.99 10.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.416 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HG3' HG22 ' A' ' 37' ' ' VAL . 60.7 ttp180 -104.38 127.08 51.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.0 p -60.46 160.74 8.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.987 0.422 . . . . 0.0 110.902 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.0 -31.87 71.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.415 0.626 . . . . 0.0 110.035 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.52 -33.15 70.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.66 25.16 47.47 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.127 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -113.1 -19.86 11.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.704 0.288 . . . . 0.0 111.224 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -124.75 132.64 53.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.8 t -130.8 121.75 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' TRP . 26.9 t-80 -108.87 142.42 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.6 m -114.45 136.17 53.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 29.5 t -119.7 141.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.217 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.484 ' HB ' HG22 ' A' ' 44' ' ' THR . 13.8 t -91.64 122.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 107' ' ' ILE . 24.6 mt -88.14 -11.87 45.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.692 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 72.3 p -80.61 -29.0 36.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.484 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.8 t -80.58 -23.57 39.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.744 HG13 HD23 ' A' ' 62' ' ' LEU . 36.6 mm -58.76 92.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.0 -32.43 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -161.36 171.11 18.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.72 HD11 ' HG3' ' A' ' 105' ' ' GLN . 0.6 OUTLIER -123.7 138.19 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -128.5 109.58 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -108.66 152.48 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 59' ' ' MET . 20.4 p -70.66 146.79 94.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.54 158.38 53.92 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.559 2.172 . . . . 0.0 112.447 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -13.99 62.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.454 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 t -89.78 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.344 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -106.85 112.9 26.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.825 0.345 . . . . 0.0 110.723 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.21 -19.19 19.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -89.82 97.54 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ptp -81.58 112.41 18.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.452 ' O ' HG23 ' A' ' 51' ' ' THR . 60.8 mtt -146.56 144.24 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -115.32 121.96 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.549 ' N ' HD13 ' A' ' 60' ' ' LEU . 41.4 ttm180 -113.79 134.53 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.744 HD23 HG13 ' A' ' 45' ' ' ILE . 2.3 mp -125.01 128.41 48.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 63' ' ' ILE . 3.1 mp -101.52 134.72 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.42 165.53 30.03 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.576 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -76.72 -176.66 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.945 0.402 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.676 HG22 ' HG3' ' A' ' 84' ' ' PRO . 31.3 t -99.4 129.37 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.051 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.25 135.49 47.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -141.45 38.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -98.52 -25.13 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -93.64 -26.46 17.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt 62.0 41.91 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -68.43 136.2 52.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -133.14 156.61 47.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -115.7 151.37 35.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -88.98 0.04 56.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.412 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -95.69 38.22 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.373 . . . . 0.0 111.098 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.31 36.34 57.35 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.696 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -86.43 91.36 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -101.12 28.41 5.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.6 m -129.41 159.35 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.62 HG11 HG21 ' A' ' 66' ' ' VAL . 29.5 m -64.17 145.06 98.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.62 -70.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.591 2.194 . . . . 0.0 112.363 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.54 95.88 0.21 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.676 ' HG3' HG22 ' A' ' 66' ' ' VAL . 74.3 Cg_exo -50.79 149.96 13.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.475 2.117 . . . . 0.0 112.307 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -96.03 139.15 32.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -133.0 147.92 52.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -106.5 120.94 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.3 ttp -99.95 118.74 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.747 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.64 155.32 22.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 m -124.23 123.04 39.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.393 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.2 m-85 -99.03 146.01 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 111.639 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.645 ' OD1' HD11 ' A' ' 8' ' ' ILE . 96.7 m-20 -102.8 10.41 38.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -157.67 129.58 7.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 111.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 97' ' ' MET . 92.1 mtm-85 -61.46 -40.08 93.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.761 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -44.06 91.8 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.154 0.502 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.9 t -69.96 -33.32 54.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.637 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.444 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -76.68 -31.06 57.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.508 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 97' ' ' MET . 23.0 t70 -80.63 -26.69 37.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -73.53 -28.98 62.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.807 HG22 HD12 ' A' ' 104' ' ' LEU . 33.0 mm -86.05 -41.64 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -56.53 -33.59 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.2 mmm -81.98 -47.84 12.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.517 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.5 t -61.11 -44.71 96.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.658 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.807 HD12 HG22 ' A' ' 100' ' ' ILE . 16.3 mt -64.5 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.404 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.72 ' HG3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.94 -34.41 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.691 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -63.96 -41.82 97.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.363 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.81 HD13 HD13 ' A' ' 42' ' ' LEU . 79.7 mt -57.17 -43.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.534 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -53.13 -52.48 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.809 0.814 . . . . 0.0 110.289 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -55.24 -31.13 61.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.201 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -71.43 -33.13 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 29.0 m-85 -71.31 -28.91 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.648 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.49 -39.64 74.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.725 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.18 -37.33 77.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.77 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.938 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 N--CA 1.475 0.407 0 CA-C-O 120.911 0.296 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -166.89 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -111.9 149.89 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.5 p 61.08 118.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.075 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.65 148.49 17.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.975 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.79 139.13 58.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 0.0 111.302 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.65 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.36 147.41 20.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.892 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.1 mt -96.49 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.06 0.457 . . . . 0.0 111.237 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.0 t80 -144.37 106.35 4.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.055 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.5 mt-10 78.09 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.216 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? 62.39 12.91 5.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 8' ' ' ILE . 95.9 t -123.73 137.84 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -101.62 143.59 31.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 0.0 111.786 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.58 -179.94 38.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.339 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.63 127.41 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 0.0 111.243 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.65 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.46 117.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.387 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.78 142.57 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.649 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -108.09 108.8 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.67 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -108.56 109.81 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 96.2 mt-10 -92.59 -15.21 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.19 -23.53 14.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.81 0.338 . . . . 0.0 110.702 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.39 154.39 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.0 107.79 8.9 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.742 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.413 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 58.2 Cg_endo -71.33 148.64 90.44 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.543 -1.44 . . . . 0.0 112.443 0.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -54.51 168.46 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.2 154.04 28.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.558 HD21 HG23 ' A' ' 16' ' ' ILE . 9.1 tt -109.93 118.2 35.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.25 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.46 147.17 25.52 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.005 0.431 . . . . 0.0 111.951 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -132.5 109.99 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.386 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.703 ' HG2' HG22 ' A' ' 37' ' ' VAL . 86.8 mtm-85 -104.28 127.6 51.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.071 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.08 159.8 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.73 -32.31 70.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.439 0.638 . . . . 0.0 110.026 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -72.69 -32.63 65.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.8 25.22 46.61 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -111.43 -21.02 12.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -123.26 126.26 46.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.698 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG22 ' HG2' ' A' ' 30' ' ' ARG . 39.6 t -124.93 120.64 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 29' ' ' TRP . 34.5 t-80 -109.02 142.36 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.4 m -115.72 132.12 56.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.725 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.83 139.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.259 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.621 ' HB ' HG22 ' A' ' 44' ' ' THR . 21.8 t -93.72 122.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.008 HD13 HD13 ' A' ' 107' ' ' ILE . 20.8 mt -86.58 -11.86 50.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.469 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 8.3 t -79.82 -25.59 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.667 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.4 t -93.7 16.54 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.681 HG13 HD23 ' A' ' 62' ' ' LEU . 32.6 mm -100.91 93.24 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.876 0.369 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.634 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -162.45 170.16 19.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.713 HD21 ' HG2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -123.06 133.69 54.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.775 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.643 ' O ' HD12 ' A' ' 60' ' ' LEU . 15.8 mp0 -123.22 150.47 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.56 160.67 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 p -70.42 150.67 95.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.81 155.01 71.55 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.6 2.2 . . . . 0.0 112.372 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.99 62.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.552 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -0.36 57.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.371 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 m -106.96 112.9 26.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.665 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.89 -19.29 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -90.06 96.42 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 ptp -77.94 114.23 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.4 mtt -142.89 141.15 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 49' ' ' GLN . 17.7 tp -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -115.94 129.83 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.681 HD23 HG13 ' A' ' 45' ' ' ILE . 2.5 mp -111.6 130.6 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 mm -79.5 126.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.06 49.7 3.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.618 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mttp 49.84 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.869 0.366 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 68' ' ' GLU . 14.2 p -97.43 135.05 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -116.74 39.7 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' H ' HG22 ' A' ' 66' ' ' VAL . 49.3 mt-10 -148.71 38.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -106.46 -27.48 10.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -78.39 -31.57 48.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp 61.07 49.45 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.58 141.0 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -81.07 -169.65 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -138.97 163.49 32.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.779 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.56 -33.36 75.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -130.91 35.85 3.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.202 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 52.25 37.04 46.48 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.497 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -56.53 89.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.858 0.361 . . . . 0.0 111.052 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -156.02 47.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG23 HG22 ' A' ' 81' ' ' VAL . 28.9 m -64.14 -35.84 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.494 HG22 HG23 ' A' ' 80' ' ' VAL . 6.2 m -128.67 72.29 81.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.04 -162.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.547 2.165 . . . . 0.0 112.242 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.41 165.31 0.1 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.96 133.31 40.78 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.619 2.212 . . . . 0.0 112.243 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -81.07 127.45 32.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.654 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -117.67 136.45 53.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.04 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -99.6 109.52 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.0 ttp -102.14 122.72 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.26 153.67 25.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.576 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -115.99 117.99 31.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.385 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.0 m-85 -97.63 137.01 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.441 . . . . 0.0 111.749 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.683 ' OD1' HD11 ' A' ' 8' ' ' ILE . 90.3 m-20 -97.15 9.77 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.415 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.475 ' ND2' HG23 ' A' ' 96' ' ' VAL . 39.7 t-20 -155.23 125.34 6.67 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.943 0.402 . . . . 0.0 111.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 97' ' ' MET . 59.6 ttp180 -60.9 -40.38 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.653 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -42.7 95.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.475 HG23 ' ND2' ' A' ' 93' ' ' ASN . 59.7 t -70.49 -33.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.541 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.541 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.7 t0 -78.21 -28.22 47.96 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.752 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.4 -32.14 66.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.742 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.602 ' HA ' HG22 ' A' ' 103' ' ' THR . 27.2 mm -86.05 -44.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.982 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.405 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 24.1 ttpp -57.64 -36.5 71.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.211 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.5 mtm -81.19 -40.51 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.347 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.4 t -69.24 -32.05 71.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.606 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.649 ' CD2' HD11 ' A' ' 18' ' ' ILE . 30.5 mt -70.52 -29.5 66.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.385 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.713 ' HG2' HD21 ' A' ' 48' ' ' LEU . 83.8 mt-30 -67.16 -32.42 73.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.73 -39.76 91.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 1.008 HD13 HD13 ' A' ' 42' ' ' LEU . 78.5 mt -59.26 -43.36 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.207 0.527 . . . . 0.0 109.908 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 105' ' ' GLN . 6.6 mm -52.13 -52.63 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.734 0.778 . . . . 0.0 110.061 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -56.43 -29.84 62.1 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -71.82 -33.61 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 25.7 m-85 -70.99 -29.11 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -70.34 -39.72 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.724 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.14 -36.91 76.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.32 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.995 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 N--CA 1.478 0.585 0 CA-C-O 121.071 0.363 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m -58.52 -33.94 70.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -58.93 -24.59 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -116.63 129.03 55.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.67 151.86 22.91 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.898 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.93 139.57 58.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.981 0.42 . . . . 0.0 111.261 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.661 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.84 148.34 20.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.775 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 12' ' ' VAL . 27.4 mt -96.59 143.21 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.115 0.483 . . . . 0.0 111.405 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.528 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.68 106.39 4.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.878 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.99 49.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.27 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt 62.23 13.4 5.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 8' ' ' ILE . 85.5 t -124.81 139.39 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 t -101.44 146.45 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 111.839 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.16 -179.87 39.85 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.383 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -93.02 126.97 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.227 0.537 . . . . 0.0 111.171 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.932 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.54 122.61 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.881 -179.109 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -123.32 141.95 51.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.621 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -105.81 110.52 31.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.744 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -102.44 109.84 21.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.46 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.06 -14.03 39.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -52.39 -25.0 8.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.016 0.436 . . . . 0.0 110.757 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.52 153.99 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.864 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -137.9 107.64 8.25 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.845 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 52.2 Cg_endo -69.31 149.94 88.26 Favored 'Cis proline' 0 C--N 1.346 0.409 0 C-N-CA 123.408 -1.497 . . . . 0.0 112.457 0.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.38 172.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.053 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' OE1' HG21 ' A' ' 39' ' ' THR . 95.9 mt-10 -152.8 160.95 43.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.036 0.446 . . . . 0.0 111.619 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.932 HD11 HG23 ' A' ' 16' ' ' ILE . 15.6 tp -112.88 116.56 30.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 146.31 24.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 121.058 0.456 . . . . 0.0 111.972 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.3 110.01 9.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.435 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HG3' HG22 ' A' ' 37' ' ' VAL . 25.3 ttm105 -103.43 127.3 50.84 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.33 160.54 8.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.751 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.94 -32.25 70.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.406 0.622 . . . . 0.0 110.062 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -69.89 -33.61 72.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.018 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.96 24.62 48.19 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.028 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -113.09 -20.5 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.756 0.312 . . . . 0.0 111.311 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -123.49 130.7 53.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.752 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.51 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.0 t -129.25 122.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' TRP . 18.3 t-80 -108.86 142.23 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.307 0.575 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.449 HG21 ' OE1' ' A' ' 26' ' ' GLU . 12.0 m -118.19 133.29 56.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.54 144.26 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 43' ' ' SER . 23.8 t -90.51 124.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.478 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.92 HD13 HD13 ' A' ' 107' ' ' ILE . 16.3 mt -88.04 -11.74 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.738 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.446 ' H ' HG12 ' A' ' 41' ' ' VAL . 90.5 p -79.31 -28.56 42.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.43 HG22 ' HB ' ' A' ' 41' ' ' VAL . 9.2 t -81.07 -23.44 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.979 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.687 HG13 HD23 ' A' ' 62' ' ' LEU . 31.2 mm -62.63 91.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -61.83 -30.14 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -157.97 167.56 29.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.868 HD21 ' HB3' ' A' ' 104' ' ' LEU . 2.4 mp -119.46 133.48 55.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.71 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.792 ' OE1' HD11 ' A' ' 63' ' ' ILE . 74.1 mt-30 -124.48 142.44 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -141.5 154.82 45.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 p -70.49 143.64 90.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.33 164.03 36.26 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.498 2.132 . . . . 0.0 112.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.43 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.556 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.9 t -89.76 -0.74 57.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.678 0.275 . . . . 0.0 111.328 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.1 114.81 29.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.716 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -19.54 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.655 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -95.12 119.43 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.8 ptp -97.84 118.53 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.5 mtp -151.07 143.16 24.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -115.07 117.73 31.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.758 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -104.84 135.19 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.067 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.687 HD23 HG13 ' A' ' 45' ' ' ILE . 2.8 mp -116.42 129.84 56.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.676 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.792 HD11 ' OE1' ' A' ' 49' ' ' GLN . 8.8 mm -98.71 130.34 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.293 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.54 178.46 50.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.312 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -69.73 165.46 21.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.443 HG12 ' CG ' ' A' ' 68' ' ' GLU . 21.7 t -67.75 -41.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.13 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 61.6 69.27 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.443 ' CG ' HG12 ' A' ' 66' ' ' VAL . 37.5 mt-10 -109.31 36.3 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -103.2 -25.26 13.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -85.97 -30.4 22.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.19 142.41 27.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -117.48 124.54 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -99.95 146.53 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -109.94 -20.28 12.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 t30 76.53 1.14 3.29 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.63 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -79.12 60.0 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.44 20.23 60.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.824 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -112.32 -28.83 7.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 60.08 -172.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 p -115.39 142.93 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 81' ' ' VAL . 10.7 m -118.06 84.48 21.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.2 153.76 76.81 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.549 2.166 . . . . 0.0 112.365 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -119.85 73.36 17.84 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.04 128.03 16.98 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.635 2.223 . . . . 0.0 112.412 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.97 127.99 36.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.739 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.621 ' HD3' HD12 ' A' ' 63' ' ' ILE . 98.1 mtt180 -121.5 141.25 51.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -118.87 119.56 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.661 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 62.3 mtt -101.07 123.47 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.31 156.81 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.39 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.569 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -125.57 130.18 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.2 m-85 -109.51 151.48 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.561 . . . . 0.0 112.03 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -107.32 8.02 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.199 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -154.47 123.97 6.53 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.965 0.412 . . . . 0.0 111.304 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' A' ' 97' ' ' MET . 74.8 ttt-85 -65.61 -26.68 67.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.914 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -45.04 33.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.242 0.544 . . . . 0.0 109.911 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.63 -32.19 54.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.606 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.462 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -74.94 -34.06 62.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.544 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.9 -28.93 60.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -71.92 -32.17 67.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.448 HG22 ' CD1' ' A' ' 104' ' ' LEU . 29.6 mm -84.57 -45.55 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.735 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.716 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.6 ttpm? -59.19 -42.29 90.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.4 tpp -68.15 -37.87 81.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -34.95 66.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.022 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.868 ' HB3' HD21 ' A' ' 48' ' ' LEU . 66.3 mt -69.73 -33.52 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.354 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.16 -34.36 77.39 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -64.99 -40.05 94.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.255 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.92 HD13 HD13 ' A' ' 42' ' ' LEU . 73.1 mt -58.29 -43.94 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.254 0.55 . . . . 0.0 109.885 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.77 HD11 HD11 ' A' ' 48' ' ' LEU . 6.8 mm -52.43 -52.49 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-O 121.852 0.834 . . . . 0.0 110.173 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t -55.23 -29.19 57.52 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -71.47 -33.89 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 44.2 m-85 -72.73 -28.18 62.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -32.4 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.807 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -58.66 -44.27 90.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.1 72.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.051 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.476 0.462 0 CA-C-O 120.849 0.271 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m -59.13 -35.06 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -59.61 -24.57 63.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.1 p -116.5 126.23 53.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.73 152.42 23.89 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.9 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.57 139.54 58.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 0.0 111.227 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.623 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -158.02 147.23 19.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.774 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.704 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.5 mt -96.51 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.182 0.515 . . . . 0.0 111.417 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.91 106.37 4.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.887 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.02 49.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.249 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm 62.84 12.08 5.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 8' ' ' ILE . 56.7 t -123.59 137.97 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 22.1 t -100.92 142.71 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.369 0.604 . . . . 0.0 111.624 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -162.18 -179.97 37.13 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.513 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.84 125.51 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.251 0.548 . . . . 0.0 111.152 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -101.48 121.9 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.992 -179.074 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.59 141.71 48.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.5 mt -108.92 109.51 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -103.62 109.69 21.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -94.06 -15.67 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.26 -23.11 21.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.54 154.29 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.976 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.29 107.81 9.47 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.79 148.61 90.96 Favored 'Cis proline' 0 C--N 1.349 0.557 0 C-N-CA 123.465 -1.473 . . . . 0.0 112.532 0.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -54.36 172.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.93 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -155.25 157.79 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.128 0.489 . . . . 0.0 111.86 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' CB ' HD21 ' A' ' 42' ' ' LEU . 2.2 tp -114.53 114.21 25.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.79 146.27 24.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.154 0.502 . . . . 0.0 111.932 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.529 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.5 t90 -134.27 112.01 10.7 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.588 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.524 ' HG3' HG22 ' A' ' 37' ' ' VAL . 21.2 ttp-105 -105.95 124.71 50.01 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -62.3 154.54 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -32.13 64.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.408 0.623 . . . . 0.0 110.275 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -66.99 -32.96 74.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.96 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.7 23.53 55.73 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.003 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -117.21 -17.13 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.634 0.254 . . . . 0.0 111.41 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -123.52 125.99 45.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 30' ' ' ARG . 29.9 t -127.0 120.48 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' TRP . 39.1 t-80 -109.03 142.23 40.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.5 m -119.24 135.75 54.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.315 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.508 ' HB ' HG22 ' A' ' 44' ' ' THR . 16.3 t -94.82 123.43 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.912 HD13 HD13 ' A' ' 107' ' ' ILE . 20.5 mt -88.04 -11.8 46.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.552 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.424 ' H ' HG12 ' A' ' 41' ' ' VAL . 9.8 t -80.36 -28.26 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.824 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.508 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.7 t -83.21 -19.15 37.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.682 ' CD1' HD23 ' A' ' 62' ' ' LEU . 37.7 mm -63.48 93.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -62.89 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -159.11 168.47 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -124.32 125.92 45.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -117.8 152.68 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.55 164.51 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 59' ' ' MET . 1.1 p -70.44 148.36 95.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.49 153.95 69.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.656 2.237 . . . . 0.0 112.407 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.56 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.431 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 t -89.79 -0.41 57.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 m -107.06 113.17 26.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.96 -19.33 17.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.793 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -87.97 120.01 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 tpp -94.29 119.88 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.496 ' HE2' ' SD ' ' A' ' 88' ' ' MET . 77.4 mtp -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 50' ' ' ALA . 6.1 tp -115.17 123.49 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.775 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -107.77 132.93 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.682 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.2 mp -115.77 129.07 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.8 mm -94.78 118.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.062 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.26 70.41 0.64 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 mttp 51.59 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.881 0.372 . . . . 0.0 111.272 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.89 -67.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -77.2 122.19 24.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -111.4 37.19 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.0 m -60.55 -25.34 66.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -59.15 -32.67 70.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -79.89 149.78 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.9 mtp-105 -106.03 123.95 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 156.38 27.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -125.68 168.61 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -86.35 -0.49 56.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.478 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -96.55 38.09 1.23 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.883 0.373 . . . . 0.0 111.092 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.83 27.29 49.79 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.736 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.06 -36.88 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -127.69 154.05 45.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.46 -56.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 81' ' ' VAL . 7.6 p -127.83 77.48 76.3 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -51.61 127.04 21.33 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.508 2.139 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HD3' HG22 ' A' ' 81' ' ' VAL . 1.6 mtpm? -156.49 165.28 19.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 126.06 14.76 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.543 2.162 . . . . 0.0 112.179 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -88.47 126.4 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -132.93 141.82 48.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -117.65 109.9 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.496 ' SD ' ' HE2' ' A' ' 59' ' ' MET . 43.6 ttm -94.91 122.27 37.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.69 155.08 24.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -118.26 119.99 36.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.43 179.547 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.6 m-85 -101.65 137.51 39.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 111.817 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.579 ' OD1' HD11 ' A' ' 8' ' ' ILE . 81.1 m-20 -98.1 9.21 43.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.257 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.56 ' ND2' HG23 ' A' ' 96' ' ' VAL . 42.1 t-20 -154.62 123.71 6.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.911 0.386 . . . . 0.0 111.343 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' A' ' 97' ' ' MET . 41.4 ttp180 -60.87 -40.57 93.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -42.31 96.59 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.114 0.483 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.56 HG23 ' ND2' ' A' ' 93' ' ' ASN . 60.4 t -70.57 -33.52 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.626 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.454 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.12 -31.41 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.687 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 97' ' ' MET . 87.3 m-20 -78.16 -27.91 48.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -71.3 -32.46 68.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.16 -45.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.44 ' CD ' ' HB2' ' A' ' 50' ' ' ALA . 27.9 ttpp -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.228 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.66 -30.75 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.479 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.2 -32.95 56.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.109 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.714 ' CD2' HD11 ' A' ' 18' ' ' ILE . 72.4 mt -70.97 -33.66 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.495 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.564 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -67.74 -35.08 78.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.134 0.492 . . . . 0.0 110.517 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 23.6 mm100 -63.37 -41.49 98.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.912 HD13 HD13 ' A' ' 42' ' ' LEU . 87.7 mt -57.53 -43.03 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 110.002 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.492 HG13 HD22 ' A' ' 48' ' ' LEU . 6.7 mm -53.09 -52.13 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.788 0.804 . . . . 0.0 110.257 178.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -54.33 -29.75 48.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.273 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.43 -36.14 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.993 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -74.17 -30.47 62.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -75.17 -31.48 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.63 -37.88 79.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.15 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.86 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo . . . . . 0 N--CA 1.476 0.457 0 CA-C-O 120.785 0.244 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -119.58 148.85 42.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.06 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p -124.52 129.79 51.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' N ' HD11 ' A' ' 100' ' ' ILE . . . -155.48 148.8 19.53 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.823 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 138.0 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 0.0 111.347 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.651 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.68 147.11 25.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.721 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.711 HG23 ' O ' ' A' ' 12' ' ' VAL . 27.4 mt -96.53 143.14 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.179 0.514 . . . . 0.0 111.385 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.515 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.11 106.27 4.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.861 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.3 mt-10 78.14 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 mttm 62.33 13.33 5.91 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 8' ' ' ILE . 97.0 t -124.39 138.36 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 23.2 t -102.63 144.6 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.462 0.649 . . . . 0.0 111.777 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.07 -179.88 39.26 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.452 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.7 127.52 43.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.232 0.539 . . . . 0.0 111.126 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.651 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.76 118.6 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.654 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.46 142.97 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.69 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -105.83 117.98 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -109.08 109.63 20.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -111.64 -5.33 14.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.63 -19.58 63.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.67 -162.06 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.697 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.52 113.13 0.8 Allowed Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 67.1 Cg_endo -73.79 151.49 97.08 Favored 'Cis proline' 0 C--N 1.347 0.494 0 C-N-CA 123.516 -1.452 . . . . 0.0 112.473 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.37 172.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.677 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -157.02 146.66 20.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.517 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.634 ' HB2' HD21 ' A' ' 42' ' ' LEU . 8.9 tt -109.14 113.6 26.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 147.14 25.84 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 121.032 0.444 . . . . 0.0 111.829 -178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -132.43 109.96 10.19 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.476 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HG3' HG22 ' A' ' 37' ' ' VAL . 59.0 ttt85 -105.23 126.71 52.39 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.1 p -60.52 160.82 8.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.05 -31.91 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.484 0.659 . . . . 0.0 110.04 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.56 -33.46 71.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.43 24.66 46.14 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.194 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -113.79 -19.23 11.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 111.294 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -124.01 127.29 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.479 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.9 t -127.74 121.34 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' TRP . 14.3 t-80 -108.9 142.29 39.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -115.41 131.13 57.03 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.739 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 24.7 t -114.74 139.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.243 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.669 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.4 t -93.81 119.62 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.807 ' CD1' HD13 ' A' ' 107' ' ' ILE . 19.5 mt -83.34 -11.82 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.605 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.428 ' H ' HG12 ' A' ' 41' ' ' VAL . 9.6 t -80.46 -26.25 38.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.684 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 41' ' ' VAL . 15.3 t -95.65 20.89 9.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.476 HG21 ' HG ' ' A' ' 62' ' ' LEU . 31.4 mm -105.13 101.09 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 111.062 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' HB2' ' CA ' ' A' ' 65' ' ' LYS . 50.1 t0 -60.99 -26.46 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.656 ' HG2' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -171.67 165.6 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.628 HD23 HD11 ' A' ' 108' ' ' ILE . 3.2 pp -133.08 116.6 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -110.95 154.4 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.047 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.53 161.05 38.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.4 p -70.57 148.86 95.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 161.81 44.54 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.543 2.162 . . . . 0.0 112.407 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -12.09 61.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.53 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.09 57.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 0.0 111.295 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -104.61 114.31 28.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.608 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.19 -18.98 29.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.708 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -96.05 103.94 15.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtt -81.63 122.71 27.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.6 mtt -150.16 138.33 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.047 HD12 ' HB2' ' A' ' 50' ' ' ALA . 6.2 tp -115.33 117.51 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.797 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -103.26 139.08 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HG ' HG21 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -122.09 124.12 43.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.656 HD13 ' HG2' ' A' ' 47' ' ' LYS . 4.5 mp -102.4 129.86 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.98 -175.6 50.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' CA ' ' HB2' ' A' ' 46' ' ' ASP . 20.0 ptmt -116.76 -178.5 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.804 HG22 ' HG3' ' A' ' 84' ' ' PRO . 25.8 t -103.31 132.05 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -63.06 153.45 34.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.81 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -106.29 35.11 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.762 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.2 m -68.9 -25.33 64.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -59.9 -39.78 86.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -70.01 151.36 45.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 63.63 136.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -60.26 -165.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -137.99 169.4 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.729 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -68.0 -32.64 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 111.05 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -130.56 36.73 3.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.025 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.77 26.75 11.29 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.621 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -94.16 142.7 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 111.055 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -131.87 170.95 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.38 164.26 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.9 t -111.49 93.84 20.74 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.589 ' HB2' HG13 ' A' ' 66' ' ' VAL . 69.8 Cg_exo -51.0 141.8 35.98 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.593 2.195 . . . . 0.0 112.358 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -142.44 92.09 7.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.804 ' HG3' HG22 ' A' ' 66' ' ' VAL . 64.6 Cg_exo -51.35 128.17 24.68 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.489 2.126 . . . . 0.0 112.294 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -108.78 149.98 28.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -122.24 134.8 54.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -109.34 115.08 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.6 mtt -100.1 125.32 46.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -117.1 161.85 18.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.589 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -128.08 118.91 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.457 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.5 m-85 -98.71 137.74 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -97.94 10.44 40.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.444 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.542 ' ND2' HG23 ' A' ' 96' ' ' VAL . 45.5 t-20 -155.3 121.63 5.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.909 0.385 . . . . 0.0 111.222 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 36.3 ptt-85 -64.89 -27.43 68.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.759 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -46.15 40.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.281 0.562 . . . . 0.0 110.048 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.542 HG23 ' ND2' ' A' ' 93' ' ' ASN . 46.6 t -67.9 -32.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.553 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.548 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.03 -29.52 61.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.03 -32.19 68.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.481 ' HA ' HG22 ' A' ' 103' ' ' THR . 26.8 mm -86.0 -44.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.029 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.618 ' HD2' ' HB3' ' A' ' 50' ' ' ALA . 21.7 ttpp -56.57 -40.58 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.7 mtm -74.45 -40.33 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.357 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.2 t -71.4 -30.01 65.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.519 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.69 ' CD2' HD11 ' A' ' 18' ' ' ILE . 22.8 mt -72.7 -33.51 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.303 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.544 ' HA ' HD21 ' A' ' 48' ' ' LEU . 56.5 mt-30 -66.78 -32.71 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -41.38 93.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.807 HD13 ' CD1' ' A' ' 42' ' ' LEU . 80.3 mt -57.77 -43.53 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.886 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.628 HD11 HD23 ' A' ' 48' ' ' LEU . 5.3 mm -52.64 -52.56 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.823 0.82 . . . . 0.0 110.237 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -56.21 -31.24 63.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -72.16 -33.71 67.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 19.9 m-85 -71.7 -29.03 64.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.576 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -70.56 -39.34 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.694 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -59.45 -36.59 76.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.44 71.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.977 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo . . . . . 0 N--CA 1.476 0.46 0 CA-C-O 120.814 0.256 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -59.31 -34.53 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -59.34 -25.25 64.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -119.3 128.95 54.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.26 146.34 13.81 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.907 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.45 138.49 58.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 0.0 111.324 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.644 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.43 147.97 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.772 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 12' ' ' VAL . 28.3 mt -96.55 143.19 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 121.133 0.492 . . . . 0.0 111.352 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.522 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.78 106.35 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.856 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.0 mt-10 78.24 49.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.201 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.54 13.09 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 8' ' ' ILE . 98.2 t -124.2 138.29 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 25.8 t -101.46 144.48 30.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.368 0.604 . . . . 0.0 111.807 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.72 -179.89 39.03 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.447 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.14 126.83 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.238 0.542 . . . . 0.0 111.14 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.72 120.49 51.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.628 -179.519 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.5 143.51 45.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.64 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -102.44 115.6 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -105.56 109.74 21.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 45.6 mt-10 -109.47 -5.44 15.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.958 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.56 -19.85 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.298 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.687 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -95.42 -162.22 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.687 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.01 113.06 0.76 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.417 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 61.5 Cg_endo -72.92 151.96 97.6 Favored 'Cis proline' 0 C--N 1.347 0.453 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.471 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.27 165.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -152.98 148.63 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 111.38 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.6 HD21 HG23 ' A' ' 16' ' ' ILE . 9.5 tt -107.49 115.42 30.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.373 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.06 147.22 25.78 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.155 0.502 . . . . 0.0 111.791 -178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.522 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -131.89 109.97 10.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.483 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.611 ' HG2' HG22 ' A' ' 37' ' ' VAL . 88.6 mtt180 -104.42 128.25 52.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -59.93 161.43 6.59 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -32.4 71.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.481 0.658 . . . . 0.0 110.084 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.86 -32.25 61.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.05 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.35 25.76 46.31 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.052 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -107.69 -21.25 12.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.797 0.332 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -127.13 130.31 49.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.611 HG22 ' HG2' ' A' ' 30' ' ' ARG . 21.6 t -126.77 122.69 61.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.217 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' TRP . 27.6 t-80 -108.91 142.31 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -114.69 136.73 52.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 26.3 t -116.67 141.89 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.282 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.648 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.8 t -94.56 123.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.01 HD13 HD13 ' A' ' 107' ' ' ILE . 12.9 mt -86.86 -11.79 49.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.688 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.441 ' H ' HG12 ' A' ' 41' ' ' VAL . 4.7 t -80.24 -25.75 39.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.691 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.6 t -96.2 21.27 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.2 mm -104.5 95.88 4.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.251 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -61.47 -30.98 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -170.47 156.08 5.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -119.27 125.26 48.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.72 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -108.88 146.06 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.84 157.38 46.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.45 143.51 90.5 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.46 157.88 48.64 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.549 2.166 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.51 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m -89.94 0.67 56.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.283 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -106.32 112.24 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 110.632 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -56.78 -19.24 16.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.435 ' O ' HG21 ' A' ' 51' ' ' THR . 50.2 pttt -86.47 123.23 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -101.37 105.75 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 81.7 mtp -151.05 136.49 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 tt -115.34 122.35 45.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -103.47 145.41 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.427 HD23 HD12 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -130.5 123.35 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 33.4 mm -76.02 139.22 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.53 38.68 3.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.0 mttt 54.62 169.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.978 0.418 . . . . 0.0 111.453 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 66' ' ' VAL . 11.7 p -97.69 49.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.196 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 59.57 37.69 22.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 49.94 45.12 25.38 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.312 0.577 . . . . 0.0 110.357 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 t -53.9 -24.77 17.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.464 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -57.73 -33.45 68.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -83.53 140.63 32.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 127.69 36.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.716 ' HE2' HG21 ' A' ' 80' ' ' VAL . 32.8 mttp -92.0 160.09 15.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -58.93 -24.64 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 76.31 1.03 3.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.637 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -89.15 63.42 6.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.792 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.3 12.78 64.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.64 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.579 ' O ' HG23 ' A' ' 80' ' ' VAL . 87.9 m-20 -108.6 32.35 4.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.338 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -58.67 -36.85 74.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.716 HG21 ' HE2' ' A' ' 73' ' ' LYS . 21.1 t 60.17 159.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 81' ' ' VAL . 10.5 p -83.68 109.98 21.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.85 63.3 1.84 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.422 2.081 . . . . 0.0 112.319 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -129.11 87.32 54.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.482 ' HG3' HG23 ' A' ' 66' ' ' VAL . 65.1 Cg_exo -51.16 123.93 12.95 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.628 2.219 . . . . 0.0 112.328 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -90.61 135.84 33.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.729 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -123.53 141.99 51.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -103.8 109.53 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.7 mtt -96.04 122.53 38.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -114.13 159.03 20.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.561 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -125.26 119.07 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.605 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.9 m-85 -98.49 138.29 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.031 0.443 . . . . 0.0 111.703 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.63 10.04 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.543 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.469 ' ND2' HG23 ' A' ' 96' ' ' VAL . 43.1 t-20 -153.8 125.69 7.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 97' ' ' MET . 94.3 mtt180 -63.25 -28.09 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 -45.05 40.7 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.304 0.573 . . . . 0.0 109.91 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.469 HG23 ' ND2' ' A' ' 93' ' ' ASN . 58.3 t -68.38 -31.51 51.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.882 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.46 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 12.6 ptt? -77.31 -33.08 55.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.46 -24.88 36.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -73.92 -29.47 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.4 mm -86.07 -43.57 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.355 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 102' ' ' MET . 12.6 ptpt -50.37 -38.12 40.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.471 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 71.5 mtm -71.66 -48.34 48.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 111.138 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 -41.32 91.23 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.8 ' HB2' HD13 ' A' ' 48' ' ' LEU . 77.0 mt -65.22 -35.91 82.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.712 ' HA ' HD21 ' A' ' 48' ' ' LEU . 3.4 mt-30 -67.66 -32.99 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.656 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.66 -40.53 92.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.217 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 1.01 HD13 HD13 ' A' ' 42' ' ' LEU . 82.9 mt -57.88 -43.95 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.127 0.489 . . . . 0.0 109.794 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.424 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.2 mm -52.27 -52.5 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.748 0.785 . . . . 0.0 110.195 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -56.2 -31.61 63.61 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.089 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -72.81 -34.49 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 16.9 m-85 -72.74 -28.99 62.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.533 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -71.5 -37.18 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.718 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -58.31 -36.96 74.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.18 73.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.936 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.476 0.473 0 CA-C-O 121.159 0.4 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t 58.29 27.47 15.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -99.56 -21.26 15.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.191 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.4 p -115.9 127.92 55.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.57 149.03 20.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.809 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 137.3 58.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.631 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -154.21 147.08 24.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.806 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.4 mt -96.47 143.22 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.041 0.448 . . . . 0.0 111.409 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.32 106.27 4.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.024 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.7 mt-10 77.97 49.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.292 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.44 12.72 5.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.2 t -123.79 138.46 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.3 t -101.98 143.97 31.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.535 0.683 . . . . 0.0 111.916 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.5 -179.91 39.51 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.107 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -92.33 128.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.324 0.583 . . . . 0.0 111.195 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.631 HD12 ' CB ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.75 118.13 48.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.693 -179.467 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.47 142.28 40.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.658 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.6 mt -109.66 110.18 31.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -109.6 109.8 20.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 2.2 pt-20 -93.85 -14.15 26.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.6 -23.36 27.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.943 0.401 . . . . 0.0 110.69 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.27 154.81 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.007 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.72 107.99 8.41 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.5 148.42 88.37 Favored 'Cis proline' 0 C--N 1.348 0.546 0 C-N-CA 123.657 -1.393 . . . . 0.0 112.402 0.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -56.71 169.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.4 156.56 32.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 0.0 111.467 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.548 ' C ' HD23 ' A' ' 27' ' ' LEU . 8.9 tt -113.45 118.78 35.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.349 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.2 147.3 25.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.048 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.7 t90 -132.96 109.94 9.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.542 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.513 ' HG3' HG22 ' A' ' 37' ' ' VAL . 57.7 ttt85 -104.38 126.68 51.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.09 161.41 6.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.776 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -32.35 71.35 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.03 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.98 -33.44 70.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.036 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.78 25.11 47.14 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.072 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -112.74 -19.67 11.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.285 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -125.26 126.34 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.727 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.513 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.1 t -125.31 121.95 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.069 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' TRP . 20.2 t-80 -108.91 142.27 39.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -113.59 133.61 55.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.626 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.55 141.34 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG22 ' A' ' 44' ' ' THR . 20.5 t -91.93 123.44 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.644 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.799 ' CD1' HD13 ' A' ' 107' ' ' ILE . 20.0 mt -88.0 -11.8 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.676 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -79.44 -28.78 41.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.3 t -82.74 -17.93 42.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.646 ' CD1' HD23 ' A' ' 62' ' ' LEU . 31.6 mm -68.49 93.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.237 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -62.22 -30.13 70.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.77 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -164.42 154.37 14.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.631 HD23 HG13 ' A' ' 108' ' ' ILE . 1.8 pp -115.04 116.17 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.651 ' O ' HD12 ' A' ' 60' ' ' LEU . 4.3 tp-100 -103.46 145.83 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.638 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -137.4 155.0 49.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 59' ' ' MET . 44.4 p -70.58 149.51 95.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.77 169.06 18.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.624 2.216 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.09 -6.04 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.601 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -89.79 -0.71 57.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.11 112.56 25.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.695 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.78 -18.57 22.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.913 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -92.88 135.3 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.403 ' HE1' ' HG3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -99.31 120.06 38.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.864 ' O ' HG23 ' A' ' 51' ' ' THR . 38.4 ttm -151.13 129.82 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 49' ' ' GLN . 28.1 tp -115.14 122.86 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -105.5 130.07 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.004 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.646 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.7 mp -109.42 130.54 55.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.0 124.02 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.38 177.51 51.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.385 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -72.37 169.45 16.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.366 . . . . 0.0 111.039 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 66' ' ' VAL . 13.9 t -125.86 27.6 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -98.87 121.05 40.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -121.91 38.57 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -95.47 -23.81 16.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -67.63 -40.53 84.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -92.97 145.0 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -107.55 124.73 50.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -80.55 171.05 15.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -105.56 -23.54 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.1 t30 75.6 0.67 3.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.679 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -97.26 39.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.32 28.06 62.59 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.6 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -102.22 117.59 35.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -132.97 115.8 15.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.496 HG23 HG12 ' A' ' 81' ' ' VAL . 15.9 m -89.95 -35.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 81' ' ' VAL . 9.7 p -178.26 65.44 0.18 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.99 60.16 4.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.62 2.213 . . . . 0.0 112.39 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -177.7 152.74 0.92 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.85 126.07 20.13 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.555 2.17 . . . . 0.0 112.242 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -83.55 116.82 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.723 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -119.45 138.72 52.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.998 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -111.74 116.0 30.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 71.2 mtm -96.18 111.04 23.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.55 143.54 32.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.69 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -112.8 122.62 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.463 179.669 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.0 m-85 -101.01 146.46 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 111.721 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.526 ' OD1' HD11 ' A' ' 8' ' ' ILE . 76.3 m-20 -102.64 8.7 39.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.448 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.431 ' HB3' HG23 ' A' ' 96' ' ' VAL . 4.9 t-20 -161.34 134.4 6.32 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.943 0.402 . . . . 0.0 111.636 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.444 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.5 mtt180 -64.42 -40.8 96.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.475 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -39.97 95.76 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.156 0.503 . . . . 0.0 110.603 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 93' ' ' ASN . 64.2 t -72.64 -35.12 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.384 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.468 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 7.5 ptm -75.61 -32.64 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.324 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 -28.77 48.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.17 -32.7 67.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.07 -44.37 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.3 -41.11 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mmm -72.25 -38.68 68.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.129 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.515 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -72.14 -37.29 69.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.96 179.695 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.658 ' CD2' HD11 ' A' ' 18' ' ' ILE . 25.9 mt -68.04 -31.96 71.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.285 179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.527 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.7 mm100 -66.2 -35.76 81.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.16 -41.49 97.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.308 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.799 HD13 ' CD1' ' A' ' 42' ' ' LEU . 80.7 mt -57.57 -43.79 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.631 HG13 HD23 ' A' ' 48' ' ' LEU . 4.9 mm -52.24 -52.6 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.81 0.814 . . . . 0.0 110.236 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.2 m -53.43 -29.81 37.24 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.321 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -71.26 -34.14 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 107' ' ' ILE . 59.2 m-85 -70.38 -28.52 65.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.669 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -69.44 -35.02 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.36 -37.58 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.72 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.31 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.475 0.441 0 CA-C-O 120.748 0.228 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t 68.24 -68.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -80.19 -22.8 41.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.238 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p -122.98 127.12 48.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.035 0.445 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 149.69 20.27 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.787 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.25 137.3 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 0.0 111.385 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.627 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.55 148.07 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.674 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' VAL . 30.9 mt -96.5 143.35 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 111.391 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.526 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.7 t80 -144.79 106.38 4.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.069 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.57 49.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.376 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? 61.44 15.03 6.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 79.0 t -125.63 140.19 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 m -103.09 147.95 26.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.5 0.667 . . . . 0.0 112.062 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -170.18 180.0 42.06 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.049 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -93.87 129.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.363 0.601 . . . . 0.0 111.221 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.627 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.78 118.6 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.636 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.8 143.17 43.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.708 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -104.16 118.52 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 120.986 0.422 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -109.07 109.68 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 7.1 pt-20 -111.01 -5.66 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.927 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.82 -19.81 62.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.268 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.684 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -96.7 -161.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.684 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.6 p -165.98 113.31 0.77 Allowed Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.788 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 63.1 Cg_endo -73.19 151.55 97.2 Favored 'Cis proline' 0 C--N 1.348 0.506 0 C-N-CA 123.481 -1.466 . . . . 0.0 112.46 -0.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.612 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -156.67 147.05 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 111.476 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.714 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.2 tt -108.14 113.92 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.381 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 147.27 25.77 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 121.099 0.476 . . . . 0.0 111.757 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -131.38 109.92 10.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.451 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 93.9 mtt-85 -103.77 125.32 50.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -56.91 164.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.811 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -33.5 70.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.404 0.621 . . . . 0.0 109.983 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -77.33 -37.83 51.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 -23.65 29.01 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.102 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.13 -21.63 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -107.35 126.25 52.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.947 0.403 . . . . 0.0 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.99 113.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' TRP . 16.6 t-80 -110.88 142.22 43.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.206 0.527 . . . . 0.0 111.231 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -114.38 132.55 56.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.803 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 22.3 t -116.38 142.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.322 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' HG22 ' A' ' 44' ' ' THR . 15.9 t -94.36 122.98 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.664 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.809 ' CD1' HD13 ' A' ' 107' ' ' ILE . 23.7 mt -87.96 -11.88 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.612 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 12.0 t -80.55 -27.57 37.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.896 0.379 . . . . 0.0 110.79 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.555 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.3 t -86.19 -5.86 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.354 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.404 ' CD1' HD23 ' A' ' 62' ' ' LEU . 30.5 mm -80.38 98.97 3.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.882 0.373 . . . . 0.0 111.244 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -60.92 -27.93 68.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.713 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -172.18 149.26 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' ' 105' ' ' GLN . 3.3 pp -109.19 116.42 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.791 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -104.18 155.42 18.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.728 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.6 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 59' ' ' MET . 71.6 p -70.5 152.13 95.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.47 159.25 51.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.532 2.154 . . . . 0.0 112.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -10.63 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.57 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.6 m -89.74 -0.06 57.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 114.19 28.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -57.24 -19.34 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -90.52 104.53 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.08 114.65 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.655 ' O ' HG23 ' A' ' 51' ' ' THR . 53.0 mtt -145.11 146.84 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.728 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 3.2 mm? -115.32 137.76 51.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -116.87 124.88 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.1 mp -101.76 132.51 47.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.01 123.8 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.3 124.29 7.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.4 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -64.77 -179.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.5 t -69.63 -35.14 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 62.01 47.05 6.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -108.79 36.23 2.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.8 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -145.73 26.19 1.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.995 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -143.3 -51.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -88.5 157.12 18.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -100.32 122.86 43.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -118.96 149.2 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -130.97 163.46 27.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -88.54 0.6 56.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.481 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -91.42 43.68 1.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.53 26.95 34.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.667 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -120.85 29.06 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -125.78 143.07 51.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.625 HG23 ' HD2' ' A' ' 83' ' ' LYS . 27.3 m -128.69 146.36 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.464 ' HB ' ' HD3' ' A' ' 82' ' ' PRO . 10.5 t -76.92 -48.39 2.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.576 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.464 ' HD3' ' HB ' ' A' ' 81' ' ' VAL . 94.9 Cg_endo -79.08 79.11 3.48 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.282 1.988 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.625 ' HD2' HG23 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -87.59 -52.06 0.41 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 83' ' ' LYS . 45.5 Cg_exo -56.42 122.77 12.37 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.458 2.105 . . . . 0.0 112.183 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -101.3 122.77 44.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -105.04 134.92 47.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.023 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -128.05 112.04 14.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -100.02 119.84 38.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -111.32 155.68 22.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.049 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -123.55 120.56 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.67 ' CD1' HD23 ' A' ' 60' ' ' LEU . 27.8 m-85 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.055 0.455 . . . . 0.0 111.663 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -97.26 10.87 38.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.48 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.83 ' OD1' HG23 ' A' ' 96' ' ' VAL . 17.7 t-20 -155.22 117.36 4.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.975 0.417 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 97' ' ' MET . 6.3 tmm_? -60.86 -29.02 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.893 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.19 -47.3 44.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.249 0.547 . . . . 0.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.83 HG23 ' OD1' ' A' ' 93' ' ' ASN . 59.3 t -67.17 -31.07 51.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.577 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.52 ' SD ' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -73.51 -33.16 64.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.647 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 97' ' ' MET . 46.8 t0 -73.73 -29.42 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.79 -30.1 63.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.552 ' HA ' HG22 ' A' ' 103' ' ' THR . 29.5 mm -86.13 -42.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 22.0 ttpp -57.78 -39.55 77.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.266 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.401 ' HE2' ' OD1' ' A' ' 98' ' ' ASP . 64.7 mtt -77.26 -40.47 44.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.394 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.3 t -69.95 -31.4 69.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 18' ' ' ILE . 25.7 mt -71.72 -34.4 69.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.592 ' HA ' HD21 ' A' ' 48' ' ' LEU . 79.6 mt-30 -66.55 -31.63 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.17 -42.3 93.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.333 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.809 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.0 mt -57.19 -43.58 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.115 0.483 . . . . 0.0 109.838 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.416 HG12 ' HA ' ' A' ' 105' ' ' GLN . 6.2 mm -52.31 -52.81 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.808 0.814 . . . . 0.0 110.162 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.6 t -57.03 -27.13 61.36 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -33.25 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 30.8 m-85 -71.27 -28.76 64.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.39 -39.79 74.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.744 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.29 -32.92 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.857 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.476 0.475 0 CA-C-O 121.147 0.395 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 m -59.07 -34.16 71.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -59.04 -25.87 64.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 p -119.01 126.27 51.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.25 150.85 22.45 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.97 138.51 58.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.99 0.424 . . . . 0.0 111.331 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.764 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.3 mt -96.61 143.16 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 CA-C-O 121.051 0.453 . . . . 0.0 111.314 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.82 106.36 4.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.912 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.23 49.54 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.217 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm 62.45 13.11 5.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 8' ' ' ILE . 98.3 t -124.11 138.53 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -101.81 144.75 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.378 0.608 . . . . 0.0 111.768 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.85 -179.95 39.16 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.368 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.53 126.35 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 0.0 111.089 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.67 119.92 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.659 -179.486 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.35 142.8 46.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -104.92 113.12 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -102.47 109.67 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 6.5 pt-20 -108.75 -3.8 17.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.908 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -63.68 -19.9 65.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.162 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.684 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.55 -161.9 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.777 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.684 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.18 113.22 0.75 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.96 151.6 97.22 Favored 'Cis proline' 0 C--N 1.346 0.444 0 C-N-CA 123.632 -1.403 . . . . 0.0 112.265 -0.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -156.57 150.25 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 111.477 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.675 ' HB2' HD21 ' A' ' 42' ' ' LEU . 8.9 tt -110.47 112.8 24.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.545 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.21 25.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.815 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -131.41 110.71 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.425 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HG2' HG22 ' A' ' 37' ' ' VAL . 72.5 mtp85 -105.27 127.1 52.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.13 160.04 8.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.964 0.411 . . . . 0.0 110.779 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -32.2 70.34 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.413 0.625 . . . . 0.0 110.012 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.57 -32.63 64.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.51 25.47 46.86 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.012 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -109.82 -20.48 12.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -126.29 128.21 46.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' A' ' 30' ' ' ARG . 21.9 t -126.02 121.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.139 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' TRP . 25.4 t-80 -108.95 142.36 39.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.193 0.52 . . . . 0.0 111.082 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -115.1 131.77 56.82 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.769 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.89 141.45 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.14 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.639 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.0 t -95.08 120.22 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 27' ' ' LEU . 20.3 mt -84.49 -11.87 55.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.55 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 7.5 t -81.15 -24.86 37.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.721 0.296 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.639 HG22 ' HB ' ' A' ' 41' ' ' VAL . 15.1 t -95.1 20.68 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.694 ' CD1' HD23 ' A' ' 62' ' ' LEU . 34.0 mm -96.61 100.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.16 -27.37 65.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -176.63 163.74 2.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.835 HD21 ' HB3' ' A' ' 104' ' ' LEU . 1.2 mp -103.74 138.35 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -127.18 138.21 53.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.792 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -137.62 154.92 49.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -70.58 151.91 95.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.21 152.04 76.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.183 . . . . 0.0 112.384 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.82 -15.59 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.496 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.2 m -89.73 -0.12 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.336 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 113.67 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.79 -18.98 25.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.777 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -84.4 112.05 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.8 mtm -88.54 116.54 26.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 85.8 mtp -150.99 133.58 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' ' 50' ' ' ALA . 14.5 tp -115.3 113.1 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.541 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -103.01 135.32 44.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.694 HD23 ' CD1' ' A' ' 45' ' ' ILE . 1.7 mp -111.54 128.3 55.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.736 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.427 HD12 ' HG2' ' A' ' 86' ' ' ARG . 10.1 mm -86.77 127.63 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.77 153.84 40.85 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.359 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -69.94 167.25 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.061 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.445 HG12 ' HG2' ' A' ' 68' ' ' GLU . 21.5 t -109.64 134.86 50.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -113.05 47.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.445 ' HG2' HG12 ' A' ' 66' ' ' VAL . 21.6 pt-20 -110.1 36.64 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.774 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -133.93 26.11 3.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.049 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -96.2 -69.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.55 154.82 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -107.47 122.09 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -140.03 -176.77 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -177.78 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.719 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 61.85 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.972 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 74' ' ' ASP . 98.1 mt-10 -119.24 38.41 3.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.811 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.33 30.64 75.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 80' ' ' VAL . 51.6 p-10 -131.6 51.27 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.984 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.28 -30.04 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 78' ' ' ASN . 21.5 t 65.02 100.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 81' ' ' VAL . 29.9 m -67.5 112.17 9.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.4 148.1 64.19 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.438 2.092 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -115.36 131.52 23.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.62 133.24 27.21 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.458 2.105 . . . . 0.0 112.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -80.91 131.56 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.713 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HG2' HD12 ' A' ' 63' ' ' ILE . 13.1 mtp180 -113.54 135.02 54.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.54 109.46 21.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.533 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 37.2 ttm -94.9 128.28 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 87.6 m-85 -119.35 163.04 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.695 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -127.37 122.39 33.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.407 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.7 m-85 -103.62 150.25 24.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.0 111.871 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -108.1 10.9 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.132 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' ND2' HG23 ' A' ' 96' ' ' VAL . 41.7 t-20 -156.29 129.48 8.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.892 0.377 . . . . 0.0 111.36 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 97' ' ' MET . 95.6 mtt180 -67.45 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.72 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -44.89 33.65 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.231 0.538 . . . . 0.0 109.773 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' ND2' ' A' ' 93' ' ' ASN . 57.9 t -68.4 -32.28 54.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.709 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.465 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -75.93 -34.26 59.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -79.24 -27.1 42.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -71.08 -31.41 67.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 104' ' ' LEU . 28.6 mm -85.21 -46.69 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 27.2 ttpp -58.99 -39.26 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.747 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 tpp -70.76 -38.92 73.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.514 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.34 -24.34 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.835 ' HB3' HD21 ' A' ' 48' ' ' LEU . 30.9 mt -80.8 -29.57 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -71.09 -35.78 71.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 103' ' ' THR . 10.1 pt20 -66.21 -38.17 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.018 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.565 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.7 mt -58.83 -43.54 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.87 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.718 HD11 HD11 ' A' ' 48' ' ' LEU . 6.6 mm -52.76 -52.36 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.864 0.84 . . . . 0.0 110.3 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.8 t -54.44 -30.78 53.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.288 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -71.19 -32.11 68.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 38.5 m-85 -71.18 -28.49 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.681 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -69.65 -35.6 75.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.766 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.06 -37.85 81.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.41 73.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.874 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 N--CA 1.476 0.479 0 CA-C-O 120.894 0.289 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.455 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -158.72 -45.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -59.21 -26.38 64.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 p -120.51 127.13 51.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.39 147.25 14.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.82 138.47 58.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.105 0.478 . . . . 0.0 111.301 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.658 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -154.08 148.29 25.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.791 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.694 HG23 ' O ' ' A' ' 12' ' ' VAL . 26.3 mt -96.6 143.15 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.072 0.463 . . . . 0.0 111.345 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.18 106.29 4.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.846 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.7 mt-10 78.55 49.26 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.214 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttt 62.16 13.84 6.14 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 8' ' ' ILE . 61.5 t -124.9 138.6 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -101.52 146.05 28.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.397 0.618 . . . . 0.0 111.777 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.4 -179.93 40.02 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.368 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.28 127.66 44.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.23 0.538 . . . . 0.0 111.117 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.658 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.73 118.47 48.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.686 -179.498 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.19 143.55 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.679 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -102.19 119.72 50.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.06 109.61 20.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 8.0 pt-20 -112.88 -6.7 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.86 -19.54 62.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.315 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.685 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.61 -162.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.685 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.53 112.96 0.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.66 151.27 96.82 Favored 'Cis proline' 0 C--N 1.347 0.499 0 C-N-CA 123.526 -1.447 . . . . 0.0 112.453 0.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.4 169.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.89 146.43 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.401 . . . . 0.0 111.388 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 27' ' ' LEU . 9.3 tt -106.25 115.52 30.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 147.27 25.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.921 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -132.35 110.02 10.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.702 ' HG2' HG22 ' A' ' 37' ' ' VAL . 98.0 mtt180 -103.45 127.6 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -60.01 161.83 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 110.743 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.29 -31.99 71.83 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.423 0.63 . . . . 0.0 110.006 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.69 -32.26 65.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.074 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.09 24.66 47.5 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.083 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -112.1 -22.2 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -120.26 127.79 52.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.702 HG22 ' HG2' ' A' ' 30' ' ' ARG . 33.1 t -126.91 120.59 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.18 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' TRP . 33.1 t-80 -108.97 142.26 39.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 m -114.86 135.42 54.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.706 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 24.5 t -117.94 140.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.248 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.643 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.0 t -95.03 122.86 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' A' ' 107' ' ' ILE . 18.2 mt -88.06 -11.78 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.581 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 35.0 p -80.59 -24.91 38.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.643 HG22 ' HB ' ' A' ' 41' ' ' VAL . 13.6 t -96.56 20.88 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.561 ' CD1' HD23 ' A' ' 62' ' ' LEU . 34.0 mm -103.53 101.52 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.874 0.368 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.55 -26.33 65.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -173.61 165.97 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.699 HD23 HG13 ' A' ' 108' ' ' ILE . 2.8 pp -124.57 123.76 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.722 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.685 ' O ' HD12 ' A' ' 60' ' ' LEU . 79.2 mt-30 -108.55 147.38 31.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.46 151.38 43.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.409 HG21 ' O ' ' A' ' 57' ' ' LYS . 4.6 p -71.87 143.97 87.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.5 164.94 32.8 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.586 2.19 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.94 -12.76 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.468 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.77 -0.52 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.09 114.9 29.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.378 . . . . 0.0 110.583 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.96 -18.95 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.752 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' O ' HG21 ' A' ' 51' ' ' THR . 14.8 mtpt -95.79 104.33 16.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.412 ' HE3' ' CA ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -87.84 110.3 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.7 mtp -144.86 144.4 31.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.019 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 49' ' ' GLN . 27.0 tp -115.38 125.57 53.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -110.92 142.4 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 45' ' ' ILE . 1.0 OUTLIER -122.44 124.68 44.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.836 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.526 HD12 ' HG2' ' A' ' 86' ' ' ARG . 19.4 mm -89.8 125.17 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.37 166.22 52.33 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.404 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -66.4 161.12 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.01 134.12 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -134.44 39.26 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -128.34 37.8 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.81 -26.92 9.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -123.96 -0.18 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.435 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.45 87.26 0.1 Allowed 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.342 0.592 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -60.72 -157.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.222 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -147.21 -176.25 5.15 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -146.1 175.4 10.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -63.09 -28.37 70.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -126.3 36.05 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.67 30.28 27.52 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.681 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -96.35 137.43 35.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.086 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -125.8 136.5 53.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 80' ' ' VAL . 9.9 p -169.8 59.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.009 0.433 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.0 m -127.04 67.69 70.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.38 123.49 9.94 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.519 2.146 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 mttp 58.58 163.37 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.83 141.88 46.11 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.578 2.186 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -80.99 123.14 28.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.526 ' HG2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -117.17 140.92 48.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.025 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -102.07 112.8 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 47.5 ttm -96.01 122.22 38.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.003 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.65 156.86 22.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.627 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -123.47 118.56 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.3 m-85 -98.82 140.12 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.118 0.485 . . . . 0.0 111.659 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.485 ' OD1' HD11 ' A' ' 8' ' ' ILE . 29.9 m120 -99.53 10.74 40.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.478 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.458 ' ND2' HG23 ' A' ' 96' ' ' VAL . 46.2 t-20 -155.74 129.65 8.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 111.424 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 59.1 mtp180 -66.63 -27.9 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.817 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.41 -45.5 46.25 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.297 0.57 . . . . 0.0 110.047 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.458 HG23 ' ND2' ' A' ' 93' ' ' ASN . 46.6 t -69.69 -32.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.746 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.458 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 3.2 ppp? -78.64 -31.92 47.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.4 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -80.64 -26.07 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -74.65 -29.35 61.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 2' ' ' SER . 23.2 mm -85.96 -41.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -54.67 -35.34 63.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.474 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mtm -78.67 -47.68 16.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.948 0.404 . . . . 0.0 111.516 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -62.19 -40.61 96.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.613 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.679 ' CD2' HD11 ' A' ' 18' ' ' ILE . 26.5 mt -65.32 -33.25 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.449 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.595 ' HA ' HD21 ' A' ' 48' ' ' LEU . 33.8 mt-30 -66.58 -32.92 74.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.57 -41.12 93.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.408 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.763 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.3 mt -58.08 -43.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.461 . . . . 0.0 109.955 178.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.699 HG13 HD23 ' A' ' 48' ' ' LEU . 6.5 mm -52.58 -52.44 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.71 0.766 . . . . 0.0 110.184 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 p -53.67 -35.84 61.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.113 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -67.08 -32.11 73.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 27.5 m-85 -71.83 -28.9 63.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.664 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.83 -34.22 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.34 -37.71 78.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.22 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.921 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 N--CA 1.476 0.48 0 CA-C-O 120.868 0.278 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.49 ' O ' HD13 ' A' ' 100' ' ' ILE . 10.7 t -117.12 -75.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -61.51 -24.48 66.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.0 p -122.05 130.29 53.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 149.28 18.64 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.915 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.97 138.22 58.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.041 0.448 . . . . 0.0 111.345 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.659 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.77 148.56 22.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.762 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.723 HG23 ' O ' ' A' ' 12' ' ' VAL . 30.6 mt -96.54 143.27 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 CA-C-O 121.093 0.473 . . . . 0.0 111.377 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.6 t80 -143.53 106.36 4.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.147 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 58.0 mm-40 77.61 50.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.337 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 61.83 13.32 5.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 8' ' ' ILE . 74.7 t -124.55 139.22 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -100.58 146.7 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.473 0.654 . . . . 0.0 111.896 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.26 -179.93 40.48 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.079 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.502 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -94.91 129.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.34 0.59 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.819 HG23 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.52 123.28 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.96 -179.209 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.94 49.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 18' ' ' ILE . 0.9 OUTLIER -100.71 110.87 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.63 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -93.15 109.47 20.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -107.41 -7.24 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.61 -20.77 50.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.92 -161.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.672 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -167.42 113.92 0.65 Allowed Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.434 ' O ' HG13 ' A' ' 22' ' ' VAL . 11.5 Cg_exo -70.95 153.36 95.95 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.674 -1.386 . . . . 0.0 112.192 0.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.18 172.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.49 161.03 40.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 111.544 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.819 HD21 HG23 ' A' ' 16' ' ' ILE . 1.7 tm? -115.14 106.97 14.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.108 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.6 146.57 25.04 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 120.994 0.426 . . . . 0.0 112.083 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -134.3 110.02 9.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.591 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.585 ' HG3' HG22 ' A' ' 37' ' ' VAL . 38.9 ttm180 -102.44 128.48 49.03 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -61.16 161.43 8.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.853 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -32.08 72.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.014 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.29 -32.38 68.58 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.09 51.03 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.05 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -114.03 -19.75 11.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.789 0.328 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -124.49 127.31 47.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.0 t -127.93 124.89 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.166 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' A' ' 40' ' ' VAL . 14.3 t-80 -108.85 142.19 39.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.298 0.57 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.8 m -119.49 134.71 55.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.506 HG22 ' CE1' ' A' ' 38' ' ' HIS . 16.7 t -122.12 142.36 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.231 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 43' ' ' SER . 24.7 t -94.33 117.82 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.829 ' CD1' HD13 ' A' ' 107' ' ' ILE . 17.8 mt -76.89 -11.59 59.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.673 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.518 ' H ' HG12 ' A' ' 41' ' ' VAL . 1.3 t -77.04 -24.71 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.836 0.351 . . . . 0.0 110.697 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 41' ' ' VAL . 13.6 t -96.55 24.26 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.489 HD12 ' HG ' ' A' ' 62' ' ' LEU . 34.4 mm -104.21 100.24 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.94 0.4 . . . . 0.0 111.2 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -59.54 -28.01 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -176.36 165.13 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.834 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.727 HD11 ' CG ' ' A' ' 105' ' ' GLN . 2.6 pt? -128.02 130.75 48.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.744 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 91.4 mt-30 -119.42 161.79 19.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.58 154.78 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -70.61 148.09 94.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.16 161.65 45.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.533 2.155 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.7 -11.66 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.558 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.0 m -89.75 -0.18 57.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 p -104.21 113.36 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.585 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.57 -19.07 23.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -96.01 117.32 30.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.4 mmm -91.34 119.57 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.05 145.86 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 3.7 mm? -115.13 133.37 56.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.458 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 54.9 mtt85 -102.98 145.32 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' HD12 ' A' ' 45' ' ' ILE . 3.5 tp -126.89 117.15 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.6 mm -88.91 125.38 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.15 155.51 44.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.134 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -55.09 150.35 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 111.142 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.734 HG22 ' HG3' ' A' ' 84' ' ' PRO . 23.5 t -133.4 -45.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.265 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -66.71 118.11 9.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -118.05 39.91 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.0 m -57.49 -24.26 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -59.64 -40.5 87.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -89.85 133.94 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -72.66 130.37 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -86.15 146.3 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' OD2' ' ND2' ' A' ' 78' ' ' ASN . 91.2 m-20 -70.26 -24.81 63.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 76.48 -0.1 3.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.664 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -103.76 38.31 1.85 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.961 0.41 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.61 25.35 63.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.562 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.456 ' ND2' ' OD2' ' A' ' 74' ' ' ASP . 4.9 m120 -60.38 -35.11 74.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -147.01 94.3 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.45 -37.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.9 t -152.53 135.96 9.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.656 ' HG2' HG13 ' A' ' 66' ' ' VAL . 59.4 Cg_endo -72.01 -169.73 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.402 2.068 . . . . 0.0 112.316 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -123.92 76.15 57.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.734 ' HG3' HG22 ' A' ' 66' ' ' VAL . 52.6 Cg_exo -54.89 128.27 29.77 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.598 2.199 . . . . 0.0 112.278 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -90.33 117.17 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 134.95 46.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -123.72 116.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.581 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.9 mtm -102.73 117.53 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 58.7 m-85 -105.04 149.47 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.708 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -116.77 126.82 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.343 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.3 m-85 -108.23 139.97 42.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.518 . . . . 0.0 112.044 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.432 ' OD1' HD11 ' A' ' 8' ' ' ILE . 82.0 m-20 -101.4 9.8 41.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.1 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -153.8 125.63 7.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 111.408 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 97' ' ' MET . 91.6 mtt180 -63.49 -41.68 98.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.517 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.92 97.82 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.089 0.471 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.0 t -69.31 -37.93 76.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.5 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 2.5 ptt? -72.31 -35.48 68.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.56 ' HA ' ' HZ3' ' A' ' 101' ' ' LYS . 81.4 m-20 -72.29 -31.32 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -70.81 -34.72 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.482 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 2' ' ' SER . 29.8 mm -86.24 -43.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.9 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.56 ' HZ3' ' HA ' ' A' ' 98' ' ' ASP . 7.9 ttpm? -55.15 -49.9 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.74 -34.12 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -36.09 66.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.2 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 107' ' ' ILE . 63.1 mt -68.44 -35.01 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.454 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.727 ' CG ' HD11 ' A' ' 48' ' ' LEU . 64.0 mt-30 -66.57 -34.46 77.95 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.35 -40.64 93.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.829 HD13 ' CD1' ' A' ' 42' ' ' LEU . 77.4 mt -57.98 -44.01 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.192 0.52 . . . . 0.0 109.856 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.693 HG13 HD22 ' A' ' 48' ' ' LEU . 5.4 mm -51.59 -52.69 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.854 0.835 . . . . 0.0 110.133 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.4 t -52.67 -28.49 21.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.208 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -70.29 -35.04 73.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 66.0 m-85 -71.51 -27.88 63.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.644 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -35.25 70.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.655 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -60.81 -39.21 88.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.31 -33.32 74.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.9 t0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 N--CA 1.476 0.499 0 CA-C-O 120.908 0.295 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -60.02 -30.4 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -97.15 26.58 4.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p -164.01 125.71 2.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.998 0.428 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.594 ' N ' HD11 ' A' ' 100' ' ' ILE . . . -159.25 153.51 24.59 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.926 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.02 139.32 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.93 0.395 . . . . 0.0 111.344 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.662 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.24 149.04 22.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.606 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 12' ' ' VAL . 28.2 mt -96.57 143.4 12.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 111.279 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.539 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t80 -144.57 106.35 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.117 178.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 71.8 mt-10 77.5 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.21 15.2 6.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 8' ' ' ILE . 71.2 t -126.2 140.37 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.3 p -99.19 150.46 22.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.42 0.629 . . . . 0.0 111.807 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.17 174.02 44.82 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.592 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -90.41 126.65 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.906 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.21 122.5 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.996 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -122.94 141.82 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.873 HG13 HD13 ' A' ' 27' ' ' LEU . 1.4 mt -107.29 109.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -102.46 109.71 21.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -92.52 -14.57 28.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.229 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.74 -23.83 19.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.95 0.405 . . . . 0.0 110.632 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.86 154.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.004 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -136.36 107.94 9.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 59.8 Cg_endo -72.31 148.4 91.18 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 123.444 -1.482 . . . . 0.0 112.658 0.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.43 172.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.998 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' OE1' HG21 ' A' ' 39' ' ' THR . 93.2 mt-10 -156.35 160.54 39.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.131 0.491 . . . . 0.0 111.696 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.906 HD11 HG23 ' A' ' 16' ' ' ILE . 14.6 tp -112.49 114.61 27.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.137 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.51 24.32 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.141 0.496 . . . . 0.0 112.33 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.539 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.44 109.87 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.388 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.58 ' HG3' HG13 ' A' ' 37' ' ' VAL . 2.1 mpt_? -101.69 125.05 48.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -57.98 154.57 12.25 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.066 0.46 . . . . 0.0 111.043 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -30.82 66.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.93 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -71.93 -32.37 67.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.98 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.86 24.51 48.99 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.046 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -114.49 -18.36 11.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.326 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -125.9 133.27 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.58 HG13 ' HG3' ' A' ' 30' ' ' ARG . 22.1 t -129.49 120.87 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' TRP . 37.4 t-80 -108.94 142.14 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.991 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.464 HG21 ' OE1' ' A' ' 26' ' ' GLU . 25.7 m -122.42 133.19 54.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.752 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 23.1 t -113.05 133.34 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.66 ' O ' HG22 ' A' ' 44' ' ' THR . 4.0 t -86.56 112.84 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.85 ' CD1' HD13 ' A' ' 107' ' ' ILE . 20.8 mt -72.33 -11.86 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.793 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 82.7 p -78.67 -26.9 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.682 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 41' ' ' VAL . 9.8 t -86.67 -22.18 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.658 ' CD1' HD23 ' A' ' 62' ' ' LEU . 39.1 mm -62.34 94.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.2 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.735 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -161.18 164.48 30.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.838 HD11 ' CG ' ' A' ' 105' ' ' GLN . 2.3 pt? -127.39 135.88 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -124.36 144.86 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.77 160.69 38.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.231 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.442 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.31 147.27 95.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.4 154.2 69.48 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.42 -17.73 64.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -89.75 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.397 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -107.04 113.8 27.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.21 -18.8 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' O ' HG21 ' A' ' 51' ' ' THR . 97.6 mttt -86.21 116.87 24.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.75 113.1 24.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.6 mtp -150.95 133.38 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 61' ' ' ARG . 4.9 tt -115.34 128.36 56.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.434 ' N ' HD23 ' A' ' 60' ' ' LEU . 29.9 ttm180 -108.81 137.82 46.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.988 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.658 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.1 mp -119.3 127.96 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.18 136.35 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.286 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.3 163.61 29.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -78.54 176.63 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.051 0.453 . . . . 0.0 111.256 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.691 HG22 ' HB3' ' A' ' 84' ' ' PRO . 24.3 t -127.46 132.01 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.05 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -176.5 40.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -136.96 38.71 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.6 p -83.67 -26.42 29.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -77.88 -36.07 50.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.58 121.76 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -134.92 131.21 37.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -109.58 168.24 9.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.34 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -58.55 -21.78 53.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -97.18 38.56 1.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.32 35.36 88.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.618 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -107.32 97.64 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.16 -34.69 73.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.572 HG22 ' HD3' ' A' ' 82' ' ' PRO . 13.3 p -134.98 140.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 81' ' ' VAL . 7.3 p -131.58 76.81 74.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.572 ' HD3' HG22 ' A' ' 80' ' ' VAL . 46.8 Cg_endo -68.62 128.91 17.84 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.533 2.155 . . . . 0.0 112.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HB2' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -76.75 -49.93 2.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.691 ' HB3' HG22 ' A' ' 66' ' ' VAL . 75.2 Cg_endo -78.28 139.19 16.5 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.324 2.016 . . . . 0.0 112.451 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -123.01 142.26 51.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -118.79 135.32 54.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.808 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -120.58 109.45 15.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.6 ttp -96.85 122.54 39.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 81.0 m-85 -112.78 156.3 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.68 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -125.6 116.65 22.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.194 179.614 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.9 m-85 -97.62 132.58 43.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.049 0.452 . . . . 0.0 111.72 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.608 ' OD1' HD11 ' A' ' 8' ' ' ILE . 81.1 m-20 -94.07 8.86 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.412 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.571 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -149.77 126.91 11.29 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 111.35 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.521 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 35.3 ttm180 -63.2 -47.81 80.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.726 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -34.71 78.93 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' HB3' ' A' ' 93' ' ' ASN . 95.6 t -70.35 -37.48 71.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.951 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.521 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 12.3 ptt? -73.8 -33.29 64.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.664 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.67 -28.13 51.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.784 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -71.57 -34.41 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.594 HD11 ' N ' ' A' ' 5' ' ' GLY . 24.2 mm -86.14 -45.22 16.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.041 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.612 ' HA ' HD23 ' A' ' 104' ' ' LEU . 10.6 ttmt -59.07 -43.06 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.7 mmm -66.45 -36.29 82.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.47 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.05 -38.16 53.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.947 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.821 HD11 HD13 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -71.38 -29.74 65.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.812 179.041 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.838 ' CG ' HD11 ' A' ' 48' ' ' LEU . 55.7 mt-30 -65.29 -35.74 81.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.98 -39.32 90.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.85 HD13 ' CD1' ' A' ' 42' ' ' LEU . 76.0 mt -59.16 -43.74 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.795 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.815 HG13 HD22 ' A' ' 48' ' ' LEU . 5.0 mm -52.2 -52.65 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 CA-C-O 121.791 0.805 . . . . 0.0 110.095 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -55.87 -26.16 45.76 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -34.76 64.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.738 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 43' ' ' SER . 47.4 m-85 -74.06 -31.39 62.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -75.17 -34.76 61.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.08 -38.78 83.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.33 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.853 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo . . . . . 0 N--CA 1.476 0.45 0 CA-C-O 120.753 0.23 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -126.34 147.12 49.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 m80 60.61 28.35 18.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.7 p -177.93 121.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.31 153.34 24.1 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.011 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -65.14 139.57 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 111.295 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.67 147.95 22.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.798 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 90' ' ' SER . 30.0 mt -96.63 143.3 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.101 0.477 . . . . 0.0 111.268 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.5 t80 -145.55 106.32 4.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.921 178.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.2 mt-10 78.26 49.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.244 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm 62.04 14.22 6.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 8' ' ' ILE . 96.8 t -125.05 139.65 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 m -102.43 146.35 28.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.347 0.594 . . . . 0.0 111.833 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.39 -179.88 39.99 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.391 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.98 126.58 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.267 0.556 . . . . 0.0 111.148 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.874 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.45 122.82 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.918 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.556 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -120.53 142.75 49.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.621 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.696 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -103.59 115.27 45.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -100.03 109.68 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -109.25 -7.23 15.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.99 -19.97 55.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.208 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.686 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.25 -162.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.686 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.5 p -166.46 113.38 0.72 Allowed Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.58 152.54 97.8 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.418 -1.493 . . . . 0.0 112.494 0.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.32 172.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -148.69 160.95 42.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.424 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.874 HD11 HG23 ' A' ' 16' ' ' ILE . 18.1 tp -119.71 110.57 16.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.428 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 146.37 24.22 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-O 121.04 0.448 . . . . 0.0 111.948 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.2 110.0 9.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.47 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.695 ' HG2' HG22 ' A' ' 37' ' ' VAL . 77.5 mtm180 -103.42 126.68 50.71 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.45 160.13 9.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.933 0.397 . . . . 0.0 110.775 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -32.22 70.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.4 0.619 . . . . 0.0 109.989 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.82 -33.1 68.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.048 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.45 23.77 49.56 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.213 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -111.96 -20.3 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.663 0.268 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -122.37 126.49 48.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' HG2' ' A' ' 30' ' ' ARG . 33.1 t -125.85 120.73 58.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.187 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 26.8 t-80 -108.89 142.28 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.166 0.508 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.9 m -121.69 132.03 54.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.794 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 21.4 t -117.17 142.86 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.637 ' HB ' HG22 ' A' ' 44' ' ' THR . 21.5 t -89.07 121.91 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.693 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.955 HD13 HD13 ' A' ' 107' ' ' ILE . 22.4 mt -85.42 -11.74 53.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.558 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -80.12 -25.27 39.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 110.758 179.735 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.637 HG22 ' HB ' ' A' ' 41' ' ' VAL . 13.0 t -95.07 20.66 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mm -98.82 98.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.69 -26.81 68.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.24 162.26 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.826 HD11 ' HG2' ' A' ' 105' ' ' GLN . 2.0 pt? -123.48 134.3 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -118.15 153.2 34.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.54 158.01 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.36 147.71 95.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.6 153.96 68.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.601 2.201 . . . . 0.0 112.433 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -17.5 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.452 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.78 -0.74 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.43 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -107.05 114.03 27.86 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.33 -18.84 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.675 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' O ' HG21 ' A' ' 51' ' ' THR . 36.0 mttp -85.75 119.79 26.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.9 mtt -97.07 112.04 23.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.559 ' C ' HD12 ' A' ' 60' ' ' LEU . 56.4 mtt -151.14 131.93 14.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' ' 101' ' ' LYS . 8.5 mp -115.3 119.14 35.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.97 126.22 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.75 130.89 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 65' ' ' LYS . 38.2 mm -74.45 145.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.84 31.79 8.21 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' H ' HG22 ' A' ' 63' ' ' ILE . 17.2 mttm 49.7 -175.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 111.416 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.4 t -117.54 141.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -96.44 39.23 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -112.01 37.21 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -68.37 -24.0 64.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -82.53 -12.94 57.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 64.53 55.39 1.35 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.821 0.343 . . . . 0.0 110.818 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -59.7 134.03 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -85.63 164.51 17.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -79.11 -19.58 50.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -80.91 0.19 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.429 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -93.08 39.52 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.31 22.47 74.66 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.976 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -134.73 134.28 40.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 111.002 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -85.14 -51.77 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.779 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.6 t -120.33 126.0 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.481 ' N ' ' CD ' ' A' ' 82' ' ' PRO . 5.8 t -85.76 -46.56 0.6 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.494 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 81' ' ' VAL . 75.4 Cg_exo -49.95 132.64 32.81 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.362 2.041 . . . . 0.0 112.494 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 2.3 ttpm? -171.59 54.39 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 83' ' ' LYS . 60.3 Cg_endo -72.48 144.33 40.3 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.611 2.207 . . . . 0.0 112.509 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -100.6 133.97 44.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -115.05 138.81 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.154 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -108.3 117.07 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -104.27 129.27 52.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -117.53 161.01 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.725 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -125.45 123.22 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.269 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.616 ' CD1' HD13 ' A' ' 60' ' ' LEU . 33.9 m-85 -100.96 136.64 40.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.152 0.501 . . . . 0.0 111.848 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -98.46 9.98 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.263 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -152.88 129.22 10.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 97' ' ' MET . 8.5 tpp180 -64.78 -46.79 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.733 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -39.46 94.28 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.063 0.458 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.95 -33.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.676 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.475 ' SD ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -74.85 -31.73 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.749 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -79.52 -27.42 41.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.59 -32.13 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mm -86.02 -44.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.63 ' HB2' HD21 ' A' ' 60' ' ' LEU . 24.6 ttpp -56.41 -45.6 80.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.2 mtp -69.5 -36.22 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 110.944 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -39.52 72.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.186 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 18' ' ' ILE . 75.5 mt -66.76 -32.22 73.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.0 mm-40 -68.24 -33.17 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -65.19 -40.76 94.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.955 HD13 HD13 ' A' ' 42' ' ' LEU . 77.7 mt -57.51 -44.6 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 121.188 0.518 . . . . 0.0 109.8 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.557 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -52.43 -52.61 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 121.835 0.826 . . . . 0.0 110.353 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.7 t -56.48 -26.94 55.69 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.325 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.419 ' NH1' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -75.77 -34.08 60.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 43' ' ' SER . 33.9 m-85 -76.49 -29.93 57.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.487 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -75.95 -31.14 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.828 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.68 -36.69 74.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.22 -33.28 73.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.819 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 N--CA 1.476 0.443 0 CA-C-O 120.795 0.248 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t 68.64 -67.7 0.2 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -97.95 27.8 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.0 p -176.01 118.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.83 161.13 31.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.898 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -71.32 137.6 48.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.084 0.469 . . . . 0.0 111.426 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.663 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.84 145.69 24.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.611 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 12' ' ' VAL . 32.0 mt -96.36 143.27 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.097 0.475 . . . . 0.0 111.309 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.0 t80 -144.41 106.34 4.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.017 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 56.8 mm-40 78.21 49.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.388 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp 62.3 13.13 5.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 8' ' ' ILE . 85.9 t -123.75 138.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -101.94 145.28 29.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.46 0.647 . . . . 0.0 111.879 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.21 -179.88 39.89 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.134 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' ' 15' ' ' ILE . 1.9 mp -94.79 129.13 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.383 0.611 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.773 HG23 HD11 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.47 121.26 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.822 -179.106 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.31 143.33 45.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.893 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.3 mt -104.99 117.85 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.702 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -103.48 109.51 21.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -107.06 -8.65 16.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.984 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -58.66 -20.38 47.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.689 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -98.01 -162.14 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.689 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -166.87 113.68 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' O ' HG13 ' A' ' 22' ' ' VAL . 57.6 Cg_endo -71.25 153.18 96.36 Favored 'Cis proline' 0 C--N 1.346 0.429 0 C-N-CA 123.428 -1.488 . . . . 0.0 112.37 0.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.27 172.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.658 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.17 161.1 39.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.121 0.486 . . . . 0.0 111.743 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.793 ' HB2' HD21 ' A' ' 42' ' ' LEU . 17.9 tp -122.78 106.83 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.149 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.21 146.4 24.79 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.138 0.494 . . . . 0.0 111.939 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.3 t90 -134.13 109.98 9.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.329 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.557 ' HG3' HG22 ' A' ' 37' ' ' VAL . 72.3 ttt-85 -103.88 126.79 51.26 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -60.94 160.59 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.974 0.416 . . . . 0.0 111.001 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -31.98 71.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.501 0.667 . . . . 0.0 109.958 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -71.5 -33.19 69.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.013 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.53 25.36 47.23 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.004 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -112.37 -18.02 12.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -128.1 130.03 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.405 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.557 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.5 t -127.57 121.75 57.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.017 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 26.4 t-80 -108.84 142.18 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.241 0.543 . . . . 0.0 111.233 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.2 m -119.84 132.54 55.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.772 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.57 145.27 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.37 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 44' ' ' THR . 37.0 t -91.56 121.13 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 27' ' ' LEU . 23.5 mt -83.88 -11.69 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.685 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.445 ' H ' HG12 ' A' ' 41' ' ' VAL . 91.0 p -77.48 -27.95 52.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -80.21 -22.92 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.047 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.705 HG13 HD23 ' A' ' 62' ' ' LEU . 38.8 mm -62.03 93.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -62.6 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -157.76 163.82 37.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.898 0.38 . . . . 0.0 111.117 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.846 HD21 ' HB3' ' A' ' 104' ' ' LEU . 2.1 mp -119.56 121.77 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.733 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.554 ' O ' HD13 ' A' ' 60' ' ' LEU . 94.8 mt-30 -115.11 145.47 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.52 158.05 44.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -70.37 142.69 89.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.69 162.94 40.77 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.559 2.173 . . . . 0.0 112.423 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.92 -12.34 61.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.533 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.72 -0.3 57.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.726 0.298 . . . . 0.0 111.378 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.03 115.37 30.06 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -57.92 -19.21 28.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.7 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -90.6 112.57 24.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -93.04 109.57 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 61.3 mtt -144.46 150.45 37.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -115.2 128.93 56.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.723 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -114.72 136.8 52.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.705 HD23 HG13 ' A' ' 45' ' ' ILE . 2.8 mp -123.1 129.19 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.47 128.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.096 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.37 -179.24 49.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.439 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -68.27 162.94 23.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 111.041 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 66' ' ' VAL . 13.6 p -97.14 45.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.193 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -74.34 115.71 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.554 ' OE2' HG23 ' A' ' 80' ' ' VAL . 22.1 pt-20 -111.37 37.19 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.6 m -61.46 -27.1 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -61.6 -37.12 82.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -104.86 142.46 34.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -70.18 130.28 41.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -85.67 161.62 19.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.45 -80.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.83 -33.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.035 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -119.77 38.15 3.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.97 31.68 55.8 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.759 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -103.74 149.32 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.726 0.298 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 mp0 57.88 31.21 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.554 HG23 ' OE2' ' A' ' 68' ' ' GLU . 9.6 p -64.05 146.19 13.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 81' ' ' VAL . 6.0 m -115.89 88.53 21.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.27 135.02 38.37 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.49 2.126 . . . . 0.0 112.311 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -166.48 59.99 0.57 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.5 142.87 66.9 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.596 2.197 . . . . 0.0 112.347 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -80.95 127.03 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -126.04 149.11 49.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.018 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -116.57 124.69 50.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.8 mtt -95.22 111.07 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -104.2 147.2 27.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.4 t -121.05 135.28 55.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.295 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.0 m-85 -112.03 153.86 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.994 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.16 7.98 25.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.096 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.631 ' OD1' HG23 ' A' ' 96' ' ' VAL . 23.6 t-20 -152.88 123.24 7.15 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 97' ' ' MET . 24.3 ttm105 -59.51 -39.85 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -43.54 92.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.121 0.486 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.631 HG23 ' OD1' ' A' ' 93' ' ' ASN . 66.3 t -69.97 -33.13 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.624 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.58 -31.18 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.57 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 97' ' ' MET . 52.3 t0 -78.47 -27.66 46.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.34 -31.57 62.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 104' ' ' LEU . 37.5 mm -84.29 -43.51 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.785 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HD3' HD21 ' A' ' 60' ' ' LEU . 27.0 ttpp -60.76 -31.67 71.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.4 tpp -80.06 -46.28 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.231 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -63.51 -41.36 98.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.536 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.893 ' CD2' HD11 ' A' ' 18' ' ' ILE . 77.5 mt -66.27 -32.88 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -67.71 -32.03 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.86 -41.53 95.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.152 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.73 HD13 ' CD1' ' A' ' 42' ' ' LEU . 34.7 mt -56.61 -45.68 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.704 HD11 ' CD1' ' A' ' 48' ' ' LEU . 6.4 mm -51.24 -52.81 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.831 0.824 . . . . 0.0 110.338 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -30.98 66.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.013 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -73.94 -33.12 63.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -74.75 -28.81 60.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -74.52 -38.67 62.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.674 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.01 -37.46 76.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.43 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.073 0.464 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.51 156.69 27.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.827 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -70.02 138.88 52.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 111.269 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.34 146.72 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.927 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.0 mt -96.56 143.29 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.119 0.485 . . . . 0.0 111.343 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.531 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -144.43 106.32 4.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.939 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 78.08 49.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt 62.38 12.88 5.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 8' ' ' ILE . 84.0 t -123.93 137.87 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 t -102.09 144.29 30.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.454 0.645 . . . . 0.0 111.851 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.66 -179.97 39.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.311 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.33 128.4 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.157 0.503 . . . . 0.0 111.113 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.841 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.55 121.8 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.852 -179.2 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.55 143.59 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.62 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -100.77 114.91 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.7 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -99.99 109.61 21.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 1.1 pp20? -112.59 -6.51 13.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.948 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.73 -19.67 59.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.675 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.3 -162.07 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.675 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.8 p -165.82 113.41 0.78 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 65.2 Cg_endo -73.44 151.73 97.4 Favored 'Cis proline' 0 C--N 1.347 0.472 0 C-N-CA 123.503 -1.457 . . . . 0.0 112.461 0.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.32 172.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.701 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -155.7 149.37 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.841 HD11 HG23 ' A' ' 16' ' ' ILE . 8.5 tp -100.47 117.42 34.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.482 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 145.49 24.43 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.981 0.419 . . . . 0.0 111.549 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.27 111.49 10.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.638 ' HG2' HG22 ' A' ' 37' ' ' VAL . 50.3 mtp180 -105.62 128.25 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.43 161.78 8.91 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -32.72 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.372 0.606 . . . . 0.0 109.962 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -73.35 -32.81 64.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.992 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 25.44 48.12 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.046 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -109.95 -19.97 12.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.252 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.59 126.27 43.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' A' ' 30' ' ' ARG . 23.5 t -123.83 122.69 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.211 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' TRP . 5.8 t60 -108.91 142.14 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.5 m -122.46 134.71 54.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.761 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.78 146.1 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.384 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.608 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.2 t -92.44 122.42 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.733 HD13 HD13 ' A' ' 107' ' ' ILE . 11.8 mt -85.7 -11.84 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.511 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.444 ' H ' HG12 ' A' ' 41' ' ' VAL . 7.6 t -80.03 -25.44 40.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.0 110.748 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.608 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.8 t -93.57 15.98 14.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.609 HG13 HD23 ' A' ' 62' ' ' LEU . 34.8 mm -98.84 95.42 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -59.52 -31.33 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.696 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -163.43 171.0 16.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.851 HD21 ' HG2' ' A' ' 105' ' ' GLN . 3.3 pp -127.32 115.3 18.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -103.06 146.63 28.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.79 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -141.63 157.95 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 59' ' ' MET . 76.8 p -70.55 148.92 95.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.45 161.74 44.69 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.622 2.215 . . . . 0.0 112.384 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.8 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.516 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m -89.63 0.19 57.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.3 m -106.97 113.29 26.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.653 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.01 -18.79 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -89.01 115.96 26.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.408 ' HE2' ' N ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -90.77 115.74 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.674 ' O ' HG23 ' A' ' 51' ' ' THR . 70.5 mtp -151.01 133.15 15.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.019 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.79 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -115.39 119.85 37.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.722 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -105.27 138.11 41.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.609 HD23 HG13 ' A' ' 45' ' ' ILE . 1.6 mp -117.29 127.52 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.1 mm -81.6 119.12 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.593 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.861 0.362 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -110.75 109.48 19.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.2 ttp -97.01 124.0 40.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -111.12 153.82 25.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.535 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -117.83 119.58 35.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.351 179.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.441 ' CG ' ' HB3' ' A' ' 97' ' ' MET . 27.8 m-85 -98.81 135.09 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.577 ' OD1' HD11 ' A' ' 8' ' ' ILE . 29.9 m120 -97.96 12.17 35.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.266 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.559 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.6 m120 -151.44 122.73 7.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.572 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 59.6 ttm-85 -61.06 -45.46 94.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.645 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -34.78 78.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 121.164 0.507 . . . . 0.0 110.742 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 93' ' ' ASN . 92.3 t -70.61 -38.33 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.572 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 20.4 ptm -72.97 -33.22 65.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.362 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.21 -29.73 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -72.16 -32.63 67.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.65 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.4 mm -86.14 -43.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HB2' HD11 ' A' ' 60' ' ' LEU . 31.4 ttmt -53.5 -51.27 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.354 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtt -67.11 -33.51 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.226 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -38.44 66.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.62 ' CD2' HD11 ' A' ' 18' ' ' ILE . 69.0 mt -67.77 -32.81 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.851 ' HG2' HD21 ' A' ' 48' ' ' LEU . 89.3 mt-30 -66.95 -32.97 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -65.1 -41.88 94.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 42' ' ' LEU . 85.4 mt -57.51 -43.08 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.528 HG13 HD23 ' A' ' 48' ' ' LEU . 5.0 mm -53.01 -52.5 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.822 0.82 . . . . 0.0 110.341 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 m -55.58 -31.18 61.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.17 -1.377 . . . . 0.0 111.175 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -71.58 -32.68 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 24.0 m-85 -71.61 -28.54 63.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.677 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -70.17 -33.91 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.79 -37.67 79.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.29 72.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.865 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.6 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.02 0.438 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.07 147.58 16.79 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.937 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.63 138.52 58.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 111.371 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.43 148.03 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.715 HD12 ' HB3' ' A' ' 90' ' ' SER . 29.7 mt -96.5 143.18 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.143 0.496 . . . . 0.0 111.409 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.1 t80 -144.66 106.34 4.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.934 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.2 mt-10 78.01 49.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.21 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt 62.55 12.8 5.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 8' ' ' ILE . 86.1 t -124.12 138.68 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 26.0 t -101.53 144.81 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 0.0 111.911 -178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.05 -179.98 39.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.37 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.63 126.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.209 0.528 . . . . 0.0 111.234 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.652 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.61 119.72 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.586 -179.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.59 142.52 46.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -106.42 108.59 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.65 109.75 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.97 -14.9 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.09 -24.66 10.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.927 0.394 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.94 154.06 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.835 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -138.65 107.79 7.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 14.5 Cg_exo -68.97 150.09 87.61 Favored 'Cis proline' 0 C--N 1.347 0.487 0 C-N-CA 123.561 -1.433 . . . . 0.0 112.36 0.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 172.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -156.17 155.78 33.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.894 0.378 . . . . 0.0 111.346 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD21 HG23 ' A' ' 16' ' ' ILE . 9.8 tt -113.35 116.93 30.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.511 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.29 147.32 25.58 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 121.104 0.478 . . . . 0.0 111.948 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.4 t90 -132.69 110.57 10.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.573 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.704 ' HG2' HG22 ' A' ' 37' ' ' VAL . 81.8 mtm180 -104.74 127.15 52.42 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -61.43 160.13 11.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.77 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -32.39 70.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.492 0.663 . . . . 0.0 110.116 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -72.22 -32.73 67.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.082 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.48 24.64 50.03 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.983 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.32 -19.74 12.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -124.92 126.32 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.731 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 ' HG2' ' A' ' 30' ' ' ARG . 38.6 t -124.93 120.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.1 t60 -108.83 142.26 39.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.372 0.606 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.441 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.6 m -114.94 130.28 56.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.564 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 21.3 t -110.03 136.26 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 43' ' ' SER . 23.9 t -92.23 125.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.1 HD13 HD13 ' A' ' 107' ' ' ILE . 11.4 mt -88.04 -11.7 46.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.794 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.484 ' H ' HG12 ' A' ' 41' ' ' VAL . 5.3 t -79.21 -29.33 42.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.842 0.354 . . . . 0.0 110.627 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -81.7 -20.41 39.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.641 HG13 HD23 ' A' ' 62' ' ' LEU . 31.0 mm -66.43 97.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.9 -28.82 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.606 ' CG ' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -163.31 169.2 19.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 108' ' ' ILE . 1.2 pt? -142.49 135.09 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.49 HE21 HD11 ' A' ' 63' ' ' ILE . 44.8 mt-30 -130.79 162.71 28.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB3' ' HE2' ' A' ' 101' ' ' LYS . . . -141.51 162.33 35.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 59' ' ' MET . 7.0 p -70.46 147.55 94.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.04 160.2 48.4 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.507 2.138 . . . . 0.0 112.422 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.66 -11.48 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -89.8 -1.09 57.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.378 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -105.11 113.92 27.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.6 -18.7 32.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.752 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -92.53 125.74 37.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -94.86 121.0 36.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.561 ' C ' HD12 ' A' ' 60' ' ' LEU . 42.2 ttm -151.12 127.93 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 91' ' ' PHE . 7.8 mp -115.18 118.58 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.688 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -102.93 139.96 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.641 HD23 HG13 ' A' ' 45' ' ' ILE . 1.2 mp -125.01 125.04 43.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.606 HD13 ' CG ' ' A' ' 47' ' ' LYS . 4.8 mp -98.28 135.76 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.548 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.861 0.362 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.87 115.75 26.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.8 mtm -101.37 113.08 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -103.09 142.68 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.715 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -113.66 125.72 54.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.433 179.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.703 ' CD1' HD13 ' A' ' 60' ' ' LEU . 32.8 m-85 -104.1 139.77 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.106 0.479 . . . . 0.0 111.873 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -99.68 9.39 43.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.305 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.575 HD22 HG23 ' A' ' 96' ' ' VAL . 3.8 t30 -152.43 125.82 8.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 97' ' ' MET . 4.6 tmm_? -60.7 -42.63 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -42.08 96.56 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.575 HG23 HD22 ' A' ' 93' ' ' ASN . 61.4 t -70.39 -32.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.718 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -76.97 -31.64 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 97' ' ' MET . 89.3 m-20 -81.7 -26.81 34.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.56 -30.95 61.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.03 -41.47 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -51.36 -42.4 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.469 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -68.64 -46.16 69.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 111.468 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -43.58 93.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.559 ' CD2' HD11 ' A' ' 18' ' ' ILE . 90.1 mt -64.37 -37.4 87.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HA ' HD11 ' A' ' 48' ' ' LEU . 91.4 mt-30 -67.78 -33.32 74.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.78 -39.89 87.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 1.1 HD13 HD13 ' A' ' 42' ' ' LEU . 80.3 mt -59.14 -42.95 88.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.117 0.484 . . . . 0.0 109.866 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.596 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -52.5 -52.55 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.756 0.789 . . . . 0.0 110.216 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.6 m -55.12 -31.26 61.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -72.28 -32.74 66.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.69 -32.53 63.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.582 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -73.59 -34.94 65.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.84 -39.37 88.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.61 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.899 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.955 0.407 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.64 154.16 25.21 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.86 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.86 138.37 57.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.377 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.647 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -153.17 148.34 26.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.736 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.2 mt -96.53 143.18 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 111.377 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -145.3 106.32 4.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.939 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.89 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.275 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp 62.01 14.06 6.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.7 t -125.3 140.0 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -102.74 146.38 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.596 . . . . 0.0 111.841 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.02 -179.95 40.37 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.405 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.01 127.54 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.3 0.571 . . . . 0.0 111.159 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.68 119.16 49.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.608 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.39 143.58 44.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -99.81 114.31 37.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.912 0.387 . . . . 0.0 110.673 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -103.72 109.73 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 96.0 mt-10 -109.56 -6.81 15.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.05 -20.17 56.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.62 -162.05 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.682 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.4 p -166.5 113.38 0.72 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 59.9 Cg_endo -72.19 152.18 96.86 Favored 'Cis proline' 0 C--N 1.347 0.451 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.39 0.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.15 156.45 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.63 150.2 43.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.9 tt -107.32 116.78 32.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.484 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.04 147.29 25.76 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.835 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -133.1 110.28 10.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.547 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.49 ' HG3' HG22 ' A' ' 37' ' ' VAL . 59.5 ttt85 -104.75 126.79 52.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 t -60.26 160.25 8.71 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.808 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 -32.01 70.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.378 0.609 . . . . 0.0 110.022 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -70.69 -33.03 70.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.97 48.16 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.997 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.58 -19.74 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.728 0.299 . . . . 0.0 111.335 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -124.67 126.76 46.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.742 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.49 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.9 t -126.58 121.77 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.061 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.6 t60 -108.92 142.24 39.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.451 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.1 m -114.27 131.39 56.52 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.657 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 32.8 t -110.64 138.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.861 ' O ' HG22 ' A' ' 44' ' ' THR . 22.2 t -92.64 111.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 107' ' ' ILE . 23.8 mt -71.27 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.617 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.44 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -76.94 -29.31 55.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.861 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -78.61 -25.06 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 62' ' ' LEU . 29.9 mm -70.73 102.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -87.27 -23.64 24.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -148.86 162.59 39.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 HG13 ' A' ' 108' ' ' ILE . 1.4 pp -134.09 115.61 14.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -113.13 124.62 53.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -115.48 162.34 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 59' ' ' MET . 54.4 p -70.35 149.65 95.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.49 152.63 80.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.648 2.232 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -16.3 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.531 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.5 m -89.75 -0.3 57.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.316 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -107.0 113.41 26.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.366 . . . . 0.0 110.731 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.8 -18.83 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -76.54 115.01 15.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -94.01 106.1 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.685 ' O ' HG23 ' A' ' 51' ' ' THR . 50.6 mtt -151.11 138.7 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.542 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 24.9 tp -115.39 127.91 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.778 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.618 ' HE ' HD11 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -109.34 133.8 52.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 45' ' ' ILE . 2.7 mp -120.38 129.96 54.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.618 HD11 ' HE ' ' A' ' 61' ' ' ARG . 14.7 mm -101.39 138.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.198 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.824 0.345 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -114.69 111.95 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.7 mtm -91.88 118.01 30.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -112.82 156.96 21.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.598 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -126.66 119.97 28.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.485 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CG ' ' HB3' ' A' ' 97' ' ' MET . 27.4 m-85 -98.32 138.54 35.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.059 0.457 . . . . 0.0 111.792 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.496 ' OD1' HD11 ' A' ' 8' ' ' ILE . 27.9 m120 -100.11 12.77 36.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.387 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.537 ' HB3' HG23 ' A' ' 96' ' ' VAL . 19.5 m-80 -152.92 128.23 9.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.354 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.549 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 62.0 ttp180 -63.2 -45.2 92.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -34.75 78.63 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.136 0.493 . . . . 0.0 110.731 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 93' ' ' ASN . 86.4 t -70.58 -38.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.859 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 23.1 ptm -73.65 -34.16 64.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.404 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -76.0 -29.46 58.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -71.95 -33.5 68.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.698 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.4 mm -86.23 -43.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 23.8 ttpp -53.6 -35.19 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.297 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.0 -49.84 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.04 0.448 . . . . 0.0 111.156 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -38.25 87.12 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.665 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.622 HD21 HD12 ' A' ' 27' ' ' LEU . 48.2 mt -67.09 -35.77 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.585 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.43 ' HA ' HG12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -68.84 -33.96 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 110.577 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.3 -39.53 89.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.129 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 1.013 HD13 HD13 ' A' ' 42' ' ' LEU . 76.3 mt -58.45 -44.39 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.788 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.623 HG13 HD23 ' A' ' 48' ' ' LEU . 4.8 mm -52.0 -52.46 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-O 121.82 0.819 . . . . 0.0 110.297 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.1 m -53.74 -29.59 40.32 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.24 -1.345 . . . . 0.0 111.271 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -71.77 -34.88 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 53.1 m-85 -71.83 -31.25 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.726 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -73.85 -39.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.762 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.12 -37.32 76.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.95 -32.71 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.802 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.43 ' O ' HD11 ' A' ' 100' ' ' ILE . 16.3 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.937 0.398 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.22 142.85 3.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.073 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.33 138.76 58.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.995 0.426 . . . . 0.0 111.415 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.655 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.42 146.84 22.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.692 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.5 mt -96.56 143.1 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.08 0.467 . . . . 0.0 111.203 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.2 t80 -144.39 106.25 4.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.945 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.18 49.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 62.15 12.86 5.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 8' ' ' ILE . 94.7 t -123.7 137.71 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -101.79 143.97 31.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.846 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.73 -179.92 39.06 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.302 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.85 127.58 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.69 117.87 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.536 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.42 142.7 41.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.687 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -107.18 117.02 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -110.35 109.63 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -108.76 -1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.871 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.27 -19.48 65.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.268 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.69 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -94.26 -162.05 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.855 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.69 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.48 112.86 0.81 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.17 150.54 95.72 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.759 -1.35 . . . . 0.0 112.402 0.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.26 170.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.622 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.75 160.89 39.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.932 0.396 . . . . 0.0 111.489 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.607 HD21 HG23 ' A' ' 16' ' ' ILE . 9.3 tt -119.88 113.91 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.408 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.12 147.27 25.71 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.824 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.0 t90 -132.12 109.96 10.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.622 ' HG2' HG22 ' A' ' 37' ' ' VAL . 30.6 mtm105 -104.92 127.56 52.81 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.1 p -60.54 161.44 7.6 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.735 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.19 -32.55 71.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.384 0.611 . . . . 0.0 109.992 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -73.55 -32.69 64.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.5 25.47 46.9 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.056 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -109.43 -20.98 12.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -125.67 126.91 45.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 ' HG2' ' A' ' 30' ' ' ARG . 23.0 t -124.85 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.7 t60 -108.9 142.29 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.222 0.534 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.425 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.6 m -115.28 132.3 56.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.853 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 22.4 t -114.82 139.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.235 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 43' ' ' SER . 25.0 t -92.45 123.99 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.908 HD13 HD13 ' A' ' 107' ' ' ILE . 16.9 mt -88.01 -11.66 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.643 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.439 ' H ' HG12 ' A' ' 41' ' ' VAL . 78.7 p -79.24 -28.67 42.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -82.47 -20.57 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.761 HG13 HD23 ' A' ' 62' ' ' LEU . 34.6 mm -64.81 94.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -63.36 -29.84 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.69 166.1 29.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.816 HD11 ' HG2' ' A' ' 105' ' ' GLN . 2.5 pt? -131.36 128.38 39.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -125.28 152.18 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.044 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -140.0 164.62 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.064 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.722 HG21 ' O ' ' A' ' 57' ' ' LYS . 7.1 p -70.35 146.52 94.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 159.08 54.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.547 2.165 . . . . 0.0 112.441 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.0 -17.46 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.412 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.15 57.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.382 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -107.02 112.61 25.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.0 110.616 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -56.86 -19.29 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.828 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.722 ' O ' HG21 ' A' ' 51' ' ' THR . 33.3 mttm -85.89 91.57 8.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 ptp -78.98 104.56 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.778 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 56.3 mtt -145.44 143.07 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.044 HD12 ' HB2' ' A' ' 50' ' ' ALA . 10.1 tp -115.35 124.4 51.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -112.71 136.69 52.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.761 HD23 HG13 ' A' ' 45' ' ' ILE . 2.3 mp -118.24 128.68 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.603 HG23 ' HG2' ' A' ' 86' ' ' ARG . 3.6 mp -94.78 133.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.154 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG2' HG23 ' A' ' 63' ' ' ILE . 92.7 mtt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -105.64 111.76 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -97.78 112.71 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -106.89 150.37 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.9 t -120.89 125.94 48.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.8 m-85 -99.71 137.27 38.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 111.804 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.84 6.52 48.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.369 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -150.49 123.07 8.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 61.6 ttp180 -62.66 -30.87 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.92 -46.67 51.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.166 0.508 . . . . 0.0 110.11 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.88 -29.71 45.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.689 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.454 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.22 -32.31 61.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.583 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.1 t0 -74.65 -28.99 61.09 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -72.4 -30.39 64.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.582 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.3 mm -86.08 -43.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.464 ' HD2' ' HB3' ' A' ' 50' ' ' ALA . 24.0 ttpp -58.42 -34.99 71.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.6 mtm -82.1 -43.7 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.953 0.406 . . . . 0.0 111.38 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.4 t -65.49 -39.98 92.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.687 ' CD2' HD11 ' A' ' 18' ' ' ILE . 26.3 mt -66.39 -31.99 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.89 -32.79 74.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.727 179.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.87 -42.13 95.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.304 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.908 HD13 HD13 ' A' ' 42' ' ' LEU . 82.5 mt -57.23 -43.36 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.897 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.72 HG13 HD22 ' A' ' 48' ' ' LEU . 6.6 mm -52.62 -52.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 CA-C-O 121.732 0.777 . . . . 0.0 110.125 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -56.24 -31.33 63.44 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.328 -1.306 . . . . 0.0 111.131 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.69 -32.64 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 17.5 m-85 -73.94 -28.63 61.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -32.02 65.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.708 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.08 -37.31 76.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.01 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.924 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.049 0.452 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.39 164.8 36.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.678 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -68.47 137.87 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.089 0.471 . . . . 0.0 111.305 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.638 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.32 147.31 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.736 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 90' ' ' SER . 29.6 mt -96.5 143.08 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 111.432 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.6 t80 -144.46 106.34 4.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.908 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.04 49.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 62.36 12.97 5.64 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 8' ' ' ILE . 87.1 t -124.13 138.31 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -101.89 144.99 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.374 0.607 . . . . 0.0 111.895 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.01 -179.94 39.82 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.288 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.25 127.69 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.573 . . . . 0.0 111.161 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.658 HG23 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.51 116.24 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.297 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.42 142.98 39.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -103.55 113.64 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -103.82 109.73 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.5 -5.36 15.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.906 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.48 -19.88 64.0 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.351 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.56 -161.97 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 110.71 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.678 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.77 113.11 0.69 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' CB ' ' HB3' ' A' ' 43' ' ' SER . 8.3 Cg_exo -72.3 151.66 96.46 Favored 'Cis proline' 0 C--N 1.347 0.45 0 C-N-CA 123.779 -1.342 . . . . 0.0 112.319 -0.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.38 169.88 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.662 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -154.54 152.85 30.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 111.359 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.749 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.7 tt -111.51 114.25 27.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.596 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.39 147.29 25.51 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.764 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -131.48 109.95 10.65 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.46 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.816 ' HG3' HG22 ' A' ' 37' ' ' VAL . 10.8 ttt180 -104.1 127.84 51.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.6 p -62.44 160.2 14.03 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.745 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -31.96 71.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.414 0.626 . . . . 0.0 110.079 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -71.37 -32.35 68.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.1 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.87 24.29 49.67 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.077 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.92 -20.11 11.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.722 0.296 . . . . 0.0 111.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 126.29 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.816 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.3 t -126.61 119.01 52.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' TRP . 8.2 t60 -109.08 142.34 39.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.229 0.538 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.423 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 8.3 m -114.86 130.75 56.94 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.761 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -114.4 141.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.363 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG22 ' A' ' 44' ' ' THR . 18.0 t -92.62 122.84 44.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.749 HD21 ' HB2' ' A' ' 27' ' ' LEU . 28.2 mt -88.15 -11.69 46.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.591 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.41 ' HB3' ' CB ' ' A' ' 24' ' ' PRO . 60.6 p -80.24 -28.84 38.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.801 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.4 t -81.45 -21.77 38.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.686 HG13 HD23 ' A' ' 62' ' ' LEU . 31.2 mm -62.39 94.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.26 -29.7 70.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.022 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -157.79 169.68 24.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -127.61 128.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -125.63 152.62 44.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.55 164.48 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 59' ' ' MET . 1.0 OUTLIER -70.56 151.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.79 155.58 69.34 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.41 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -12.76 61.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.522 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 m -89.84 0.42 57.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.285 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -107.14 114.18 28.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.926 0.394 . . . . 0.0 110.627 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.84 -18.98 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.97 115.65 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.811 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.576 ' HE3' ' HG3' ' A' ' 94' ' ' ARG . 3.2 mpp? -87.82 124.85 34.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.508 ' HB2' HG23 ' A' ' 51' ' ' THR . 71.4 mtp -151.02 140.3 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 50' ' ' ALA . 12.4 tp -115.35 125.84 53.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.793 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -109.08 129.76 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.686 HD23 HG13 ' A' ' 45' ' ' ILE . 2.9 mp -117.89 130.55 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 63' ' ' ILE . 2.8 mp -106.48 132.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.2 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.765 0.317 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -105.32 116.43 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.414 ' HB3' ' HE3' ' A' ' 88' ' ' MET . 3.4 tmm? -92.8 120.02 32.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 78.5 m-85 -113.86 159.06 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.719 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -126.47 121.04 31.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.528 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 96' ' ' VAL . 29.7 m-85 -100.97 143.41 31.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 111.712 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.524 ' ND2' HD11 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -100.63 9.24 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.496 178.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.542 HD22 HG23 ' A' ' 96' ' ' VAL . 20.7 t30 -156.86 130.65 8.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 111.36 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.576 ' HG3' ' HE3' ' A' ' 58' ' ' MET . 95.9 mtt180 -60.72 -40.6 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.673 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.079 0.466 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.542 HG23 HD22 ' A' ' 93' ' ' ASN . 62.9 t -72.41 -33.6 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.613 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.442 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -78.52 -30.6 47.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.541 179.641 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -84.31 -25.64 29.11 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.01 -32.45 63.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.7 mm -84.27 -43.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.761 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.522 ' HB2' HD13 ' A' ' 60' ' ' LEU . 18.7 ttpp -59.15 -32.81 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.3 tpp -77.89 -48.07 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 t -63.79 -39.91 95.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.316 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.549 ' CD2' HD11 ' A' ' 18' ' ' ILE . 34.9 mt -65.5 -32.72 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.421 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -66.4 -33.47 75.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.43 -41.55 96.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.735 HD13 HD13 ' A' ' 42' ' ' LEU . 79.4 mt -57.15 -43.9 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.827 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.466 HD11 HD13 ' A' ' 48' ' ' LEU . 7.0 mm -52.29 -52.27 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.758 0.79 . . . . 0.0 110.196 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -53.93 -30.02 44.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.253 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -36.59 69.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -74.54 -30.47 61.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -76.18 -31.2 58.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.97 -37.25 76.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.77 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 53.5 t0 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.64 ' O ' HD11 ' A' ' 100' ' ' ILE . 21.8 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.967 0.413 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.14 150.26 5.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.054 -0.594 . . . . 0.0 111.985 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.27 139.8 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.937 0.399 . . . . 0.0 111.305 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.628 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.77 148.11 20.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.806 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.721 HD12 ' HB2' ' A' ' 90' ' ' SER . 29.2 mt -96.49 143.31 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.084 0.468 . . . . 0.0 111.338 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.71 106.36 4.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.018 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 77.87 49.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.255 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt 62.02 14.17 6.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.1 t -125.33 139.98 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.2 m -102.28 147.71 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.393 0.616 . . . . 0.0 111.84 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -168.52 -179.85 41.07 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.69 128.0 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.291 0.567 . . . . 0.0 111.156 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.944 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.52 120.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.634 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -118.5 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 27' ' ' LEU . 1.2 mt -105.87 108.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -98.34 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -90.81 -16.32 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -53.03 -24.32 9.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.596 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.57 154.03 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.874 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.33 107.49 7.27 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 16.7 Cg_exo -67.66 150.11 83.69 Favored 'Cis proline' 0 C--N 1.347 0.463 0 C-N-CA 123.582 -1.424 . . . . 0.0 112.468 0.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.46 172.18 0.1 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.994 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.85 161.11 42.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.747 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.944 HD11 HG23 ' A' ' 16' ' ' ILE . 19.2 tp -116.99 115.05 24.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.379 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 146.97 23.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.101 0.477 . . . . 0.0 111.999 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -134.15 110.0 9.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.466 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.6 ttt85 -103.18 126.54 50.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -60.54 161.49 7.54 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.004 0.43 . . . . 0.0 110.783 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -32.16 71.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.988 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.37 -33.26 71.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.01 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.34 25.41 47.78 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.009 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -114.1 -19.02 11.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.714 0.292 . . . . 0.0 111.424 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -126.0 127.51 46.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.65 122.2 61.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.9 t60 -108.79 142.27 39.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.458 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 17.3 m -118.4 133.57 55.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.659 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 t -117.84 143.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 43' ' ' SER . 18.3 t -90.49 124.1 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 107' ' ' ILE . 20.2 mt -88.04 -11.73 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.661 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.449 ' H ' HG12 ' A' ' 41' ' ' VAL . 6.2 t -79.97 -30.18 39.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.77 0.319 . . . . 0.0 110.739 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.434 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.2 t -79.46 -24.01 42.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.717 HG13 HD23 ' A' ' 62' ' ' LEU . 31.7 mm -59.84 93.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.74 -30.9 69.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -160.27 166.65 29.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 104' ' ' LEU . 9.5 mp -117.37 134.89 54.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.763 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -127.95 143.89 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.53 156.28 45.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 p -73.12 153.27 90.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.36 157.36 62.16 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.5 -11.77 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.577 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -89.74 -0.03 57.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.363 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 61.8 m -107.07 113.91 27.65 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.876 0.37 . . . . 0.0 110.658 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.04 -18.86 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 100.46 13.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtm -78.69 120.57 23.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 76.9 mtp -151.04 136.68 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 50' ' ' ALA . 17.4 tp -115.29 117.34 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -103.91 131.55 51.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.035 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.717 HD23 HG13 ' A' ' 45' ' ' ILE . 2.7 mp -116.3 129.44 56.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.688 HG23 ' HG2' ' A' ' 86' ' ' ARG . 3.9 mp -104.84 129.76 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.337 179.915 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.688 ' HG2' HG23 ' A' ' 63' ' ' ILE . 91.4 mtt180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.888 0.375 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -115.9 121.21 41.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -103.25 122.73 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -114.4 157.44 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.721 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -124.16 121.05 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.9 m-85 -99.66 140.65 33.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 0.0 111.853 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.642 ' OD1' HD11 ' A' ' 8' ' ' ILE . 87.2 m-20 -101.97 12.5 36.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.4 m120 -153.43 131.38 11.74 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.931 0.396 . . . . 0.0 111.277 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.572 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 87.5 mtt180 -65.96 -48.29 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -34.66 78.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 110.715 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' HB3' ' A' ' 93' ' ' ASN . 93.0 t -70.46 -38.64 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.955 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.572 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 16.8 ptm -73.16 -32.76 65.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.507 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -74.89 -29.41 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.85 -33.16 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.64 HD11 ' O ' ' A' ' 4' ' ' SER . 39.0 mm -86.17 -43.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.967 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -59.4 -33.42 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -79.67 -42.99 23.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.411 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.482 HG23 HD13 ' A' ' 18' ' ' ILE . 1.3 t -66.19 -38.62 88.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.875 ' HB3' HD21 ' A' ' 48' ' ' LEU . 72.3 mt -67.05 -34.42 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HA ' HG12 ' A' ' 108' ' ' ILE . 48.9 mt-30 -66.91 -32.54 73.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.52 -40.69 93.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.848 HD13 HD13 ' A' ' 42' ' ' LEU . 55.5 mt -58.17 -43.36 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.173 0.511 . . . . 0.0 109.819 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.499 HD11 HD11 ' A' ' 48' ' ' LEU . 6.8 mm -52.54 -52.24 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.848 0.832 . . . . 0.0 110.215 178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.7 m -53.39 -30.02 37.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.243 -1.344 . . . . 0.0 111.277 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -71.29 -33.92 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -74.62 -31.87 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.69 -31.78 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.833 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.69 -38.09 80.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.15 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.949 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.874 0.369 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.95 155.45 26.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.899 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 138.22 56.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.45 . . . . 0.0 111.393 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.634 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -153.05 147.42 25.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.673 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.3 mt -96.43 143.19 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.117 0.484 . . . . 0.0 111.319 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.36 106.34 4.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.4 mt-10 77.96 49.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.295 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 62.18 13.81 6.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 8' ' ' ILE . 89.0 t -124.71 139.6 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -102.83 145.77 29.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.43 0.633 . . . . 0.0 111.792 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.34 -179.93 39.99 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.528 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.68 126.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 111.045 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.6 119.07 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.679 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.5 143.33 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.605 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -102.77 118.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.741 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -108.25 109.67 21.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -110.6 -5.98 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -61.53 -19.65 62.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.687 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -96.71 -161.9 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 120.808 0.337 . . . . 0.0 110.817 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.687 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.0 p -166.2 113.14 0.74 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.15 151.37 96.99 Favored 'Cis proline' 0 C--N 1.347 0.486 0 C-N-CA 123.494 -1.461 . . . . 0.0 112.53 0.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.39 170.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.637 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -156.85 146.64 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.508 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.1 tt -106.97 114.12 28.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.399 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.25 25.84 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.026 0.441 . . . . 0.0 111.797 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.2 t90 -131.89 109.99 10.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.416 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HG3' HG22 ' A' ' 37' ' ' VAL . 60.7 ttp180 -104.38 127.08 51.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.0 p -60.46 160.74 8.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.987 0.422 . . . . 0.0 110.902 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.0 -31.87 71.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.415 0.626 . . . . 0.0 110.035 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.52 -33.15 70.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.66 25.16 47.47 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.127 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -113.1 -19.86 11.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.704 0.288 . . . . 0.0 111.224 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -124.75 132.64 53.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.8 t -130.8 121.75 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.8 t60 -108.87 142.42 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.43 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 6.6 m -114.45 136.17 53.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 29.5 t -119.7 141.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.217 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.484 ' HB ' HG22 ' A' ' 44' ' ' THR . 13.8 t -91.64 122.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 107' ' ' ILE . 24.6 mt -88.14 -11.87 45.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.692 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 72.3 p -80.61 -29.0 36.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.484 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.8 t -80.58 -23.57 39.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.744 HG13 HD23 ' A' ' 62' ' ' LEU . 36.6 mm -58.76 92.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.0 -32.43 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -161.36 171.11 18.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.72 HD11 ' HG3' ' A' ' 105' ' ' GLN . 0.6 OUTLIER -123.7 138.19 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -128.5 109.58 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -108.66 152.48 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 59' ' ' MET . 20.4 p -70.66 146.79 94.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.54 158.38 53.92 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.559 2.172 . . . . 0.0 112.447 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -13.99 62.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.454 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 t -89.78 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.344 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -106.85 112.9 26.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.825 0.345 . . . . 0.0 110.723 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.21 -19.19 19.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -89.82 97.54 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ptp -81.58 112.41 18.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.452 ' O ' HG23 ' A' ' 51' ' ' THR . 60.8 mtt -146.56 144.24 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -115.32 121.96 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.549 ' N ' HD13 ' A' ' 60' ' ' LEU . 41.4 ttm180 -113.79 134.53 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.744 HD23 HG13 ' A' ' 45' ' ' ILE . 2.3 mp -125.01 128.41 48.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 63' ' ' ILE . 3.1 mp -101.52 134.72 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.576 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.924 0.392 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -106.5 120.94 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.3 ttp -99.95 118.74 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.747 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.64 155.32 22.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 m -124.23 123.04 39.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.393 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.2 m-85 -99.03 146.01 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 111.639 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.645 ' OD1' HD11 ' A' ' 8' ' ' ILE . 96.7 m-20 -102.8 10.41 38.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.672 HD22 HG23 ' A' ' 96' ' ' VAL . 22.6 t30 -157.67 129.58 7.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 111.307 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 97' ' ' MET . 92.1 mtm-85 -61.46 -40.08 93.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.761 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -44.06 91.8 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.154 0.502 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.672 HG23 HD22 ' A' ' 93' ' ' ASN . 63.9 t -69.96 -33.32 54.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.637 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.444 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -76.68 -31.06 57.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.508 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 97' ' ' MET . 23.0 t70 -80.63 -26.69 37.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -73.53 -28.98 62.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.807 HG22 HD12 ' A' ' 104' ' ' LEU . 33.0 mm -86.05 -41.64 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -56.53 -33.59 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.2 mmm -81.98 -47.84 12.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.517 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.5 t -61.11 -44.71 96.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.658 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.807 HD12 HG22 ' A' ' 100' ' ' ILE . 16.3 mt -64.5 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.404 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.72 ' HG3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.94 -34.41 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.691 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -63.96 -41.82 97.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.363 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.81 HD13 HD13 ' A' ' 42' ' ' LEU . 79.7 mt -57.17 -43.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.534 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -53.13 -52.48 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.809 0.814 . . . . 0.0 110.289 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -55.24 -31.13 61.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.201 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -71.43 -33.13 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 29.0 m-85 -71.31 -28.91 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.648 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.49 -39.64 74.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.725 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.18 -37.33 77.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.77 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.938 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.985 0.421 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.65 148.49 17.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.975 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.79 139.13 58.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 0.0 111.302 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.65 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.36 147.41 20.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.892 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.1 mt -96.49 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.06 0.457 . . . . 0.0 111.237 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.0 t80 -144.37 106.35 4.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.055 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.5 mt-10 78.09 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.216 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? 62.39 12.91 5.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 8' ' ' ILE . 95.9 t -123.73 137.84 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -101.62 143.59 31.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 0.0 111.786 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.58 -179.94 38.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.339 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.63 127.41 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 0.0 111.243 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.65 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.46 117.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.387 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.78 142.57 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.649 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -108.09 108.8 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.67 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -108.56 109.81 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 96.2 mt-10 -92.59 -15.21 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.19 -23.53 14.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.81 0.338 . . . . 0.0 110.702 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.39 154.39 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.0 107.79 8.9 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.742 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.413 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 58.2 Cg_endo -71.33 148.64 90.44 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.543 -1.44 . . . . 0.0 112.443 0.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -54.51 168.46 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.2 154.04 28.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.558 HD21 HG23 ' A' ' 16' ' ' ILE . 9.1 tt -109.93 118.2 35.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.25 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.46 147.17 25.52 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.005 0.431 . . . . 0.0 111.951 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -132.5 109.99 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.386 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.703 ' HG2' HG22 ' A' ' 37' ' ' VAL . 86.8 mtm-85 -104.28 127.6 51.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.071 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.08 159.8 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.73 -32.31 70.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.439 0.638 . . . . 0.0 110.026 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -72.69 -32.63 65.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.8 25.22 46.61 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -111.43 -21.02 12.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -123.26 126.26 46.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.698 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG22 ' HG2' ' A' ' 30' ' ' ARG . 39.6 t -124.93 120.64 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.9 t60 -109.02 142.36 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.4 m -115.72 132.12 56.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.725 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.83 139.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.259 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.621 ' HB ' HG22 ' A' ' 44' ' ' THR . 21.8 t -93.72 122.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.008 HD13 HD13 ' A' ' 107' ' ' ILE . 20.8 mt -86.58 -11.86 50.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.469 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 8.3 t -79.82 -25.59 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.667 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.4 t -93.7 16.54 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.681 HG13 HD23 ' A' ' 62' ' ' LEU . 32.6 mm -100.91 93.24 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.876 0.369 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.634 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -162.45 170.16 19.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.713 HD21 ' HG2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -123.06 133.69 54.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.775 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.643 ' O ' HD12 ' A' ' 60' ' ' LEU . 15.8 mp0 -123.22 150.47 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.56 160.67 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 p -70.42 150.67 95.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.81 155.01 71.55 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.6 2.2 . . . . 0.0 112.372 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.99 62.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.552 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -0.36 57.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.371 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 m -106.96 112.9 26.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.665 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.89 -19.29 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -90.06 96.42 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 ptp -77.94 114.23 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.4 mtt -142.89 141.15 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 49' ' ' GLN . 17.7 tp -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -115.94 129.83 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.681 HD23 HG13 ' A' ' 45' ' ' ILE . 2.5 mp -111.6 130.6 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 mm -79.5 126.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.618 -179.91 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.872 0.368 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -99.6 109.52 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.0 ttp -102.14 122.72 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.26 153.67 25.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.576 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -115.99 117.99 31.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.385 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.0 m-85 -97.63 137.01 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.441 . . . . 0.0 111.749 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.683 ' OD1' HD11 ' A' ' 8' ' ' ILE . 90.3 m-20 -97.15 9.77 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.415 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.475 ' ND2' HG23 ' A' ' 96' ' ' VAL . 39.7 t-20 -155.23 125.34 6.67 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.943 0.402 . . . . 0.0 111.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 97' ' ' MET . 59.6 ttp180 -60.9 -40.38 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.653 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -42.7 95.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.475 HG23 ' ND2' ' A' ' 93' ' ' ASN . 59.7 t -70.49 -33.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.541 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.541 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.7 t0 -78.21 -28.22 47.96 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.752 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.4 -32.14 66.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.742 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.602 ' HA ' HG22 ' A' ' 103' ' ' THR . 27.2 mm -86.05 -44.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.982 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.405 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 24.1 ttpp -57.64 -36.5 71.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.211 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.5 mtm -81.19 -40.51 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.347 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.4 t -69.24 -32.05 71.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.606 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.649 ' CD2' HD11 ' A' ' 18' ' ' ILE . 30.5 mt -70.52 -29.5 66.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.385 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.713 ' HG2' HD21 ' A' ' 48' ' ' LEU . 83.8 mt-30 -67.16 -32.42 73.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.73 -39.76 91.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 1.008 HD13 HD13 ' A' ' 42' ' ' LEU . 78.5 mt -59.26 -43.36 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.207 0.527 . . . . 0.0 109.908 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 105' ' ' GLN . 6.6 mm -52.13 -52.63 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.734 0.778 . . . . 0.0 110.061 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -56.43 -29.84 62.1 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -71.82 -33.61 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 25.7 m-85 -70.99 -29.11 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -70.34 -39.72 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.724 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.14 -36.91 76.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.32 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.995 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.021 0.439 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.67 151.86 22.91 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.898 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.93 139.57 58.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.981 0.42 . . . . 0.0 111.261 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.661 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.84 148.34 20.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.775 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 12' ' ' VAL . 27.4 mt -96.59 143.21 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.115 0.483 . . . . 0.0 111.405 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.528 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.68 106.39 4.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.878 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.99 49.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.27 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt 62.23 13.4 5.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 8' ' ' ILE . 85.5 t -124.81 139.39 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 t -101.44 146.45 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 111.839 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.16 -179.87 39.85 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.383 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -93.02 126.97 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.227 0.537 . . . . 0.0 111.171 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.932 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.54 122.61 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.881 -179.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -123.32 141.95 51.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.621 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -105.81 110.52 31.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.744 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -102.44 109.84 21.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.46 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.06 -14.03 39.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -52.39 -25.0 8.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.016 0.436 . . . . 0.0 110.757 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.52 153.99 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.864 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -137.9 107.64 8.25 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.845 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 52.2 Cg_endo -69.31 149.94 88.26 Favored 'Cis proline' 0 C--N 1.346 0.409 0 C-N-CA 123.408 -1.497 . . . . 0.0 112.457 0.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.38 172.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.053 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' OE1' HG21 ' A' ' 39' ' ' THR . 95.9 mt-10 -152.8 160.95 43.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.036 0.446 . . . . 0.0 111.619 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.932 HD11 HG23 ' A' ' 16' ' ' ILE . 15.6 tp -112.88 116.56 30.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 146.31 24.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 121.058 0.456 . . . . 0.0 111.972 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.3 110.01 9.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.435 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HG3' HG22 ' A' ' 37' ' ' VAL . 25.3 ttm105 -103.43 127.3 50.84 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.33 160.54 8.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.751 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.94 -32.25 70.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.406 0.622 . . . . 0.0 110.062 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -69.89 -33.61 72.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.018 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.96 24.62 48.19 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.028 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -113.09 -20.5 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.756 0.312 . . . . 0.0 111.311 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -123.49 130.7 53.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.752 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.51 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.0 t -129.25 122.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.8 t60 -108.86 142.23 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.307 0.575 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 12.0 m -118.19 133.29 56.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.54 144.26 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 43' ' ' SER . 23.8 t -90.51 124.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.478 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.92 HD13 HD13 ' A' ' 107' ' ' ILE . 16.3 mt -88.04 -11.74 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.738 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.446 ' H ' HG12 ' A' ' 41' ' ' VAL . 90.5 p -79.31 -28.56 42.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.43 HG22 ' HB ' ' A' ' 41' ' ' VAL . 9.2 t -81.07 -23.44 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.979 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.687 HG13 HD23 ' A' ' 62' ' ' LEU . 31.2 mm -62.63 91.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -61.83 -30.14 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -157.97 167.56 29.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.868 HD21 ' HB3' ' A' ' 104' ' ' LEU . 2.4 mp -119.46 133.48 55.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.71 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.928 ' NE2' HD11 ' A' ' 63' ' ' ILE . 30.7 mt-30 -124.48 142.44 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -141.5 154.82 45.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 p -70.49 143.64 90.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.33 164.03 36.26 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.498 2.132 . . . . 0.0 112.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.43 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.556 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.9 t -89.76 -0.74 57.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.678 0.275 . . . . 0.0 111.328 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.1 114.81 29.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.716 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -19.54 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.655 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -95.12 119.43 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.8 ptp -97.84 118.53 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.5 mtp -151.07 143.16 24.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -115.07 117.73 31.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.758 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -104.84 135.19 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.067 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.687 HD23 HG13 ' A' ' 45' ' ' ILE . 2.8 mp -116.42 129.84 56.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.676 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.928 HD11 ' NE2' ' A' ' 49' ' ' GLN . 8.8 mm -98.71 130.34 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.293 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.312 179.673 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.621 ' HD3' HD12 ' A' ' 63' ' ' ILE . 98.1 mtt180 . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.905 0.384 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -118.87 119.56 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.661 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 62.3 mtt -101.07 123.47 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.31 156.81 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.39 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.569 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -125.57 130.18 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.2 m-85 -109.51 151.48 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.561 . . . . 0.0 112.03 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -107.32 8.02 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.199 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.742 HD22 HG23 ' A' ' 96' ' ' VAL . 8.2 t30 -154.47 123.97 6.53 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.965 0.412 . . . . 0.0 111.304 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' A' ' 97' ' ' MET . 74.8 ttt-85 -65.61 -26.68 67.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.914 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -45.04 33.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.242 0.544 . . . . 0.0 109.911 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.742 HG23 HD22 ' A' ' 93' ' ' ASN . 90.4 t -68.63 -32.19 54.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.606 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.462 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -74.94 -34.06 62.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.544 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.9 -28.93 60.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -71.92 -32.17 67.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.448 HG22 ' CD1' ' A' ' 104' ' ' LEU . 29.6 mm -84.57 -45.55 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.735 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.716 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.6 ttpm? -59.19 -42.29 90.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.4 tpp -68.15 -37.87 81.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -34.95 66.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.022 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.868 ' HB3' HD21 ' A' ' 48' ' ' LEU . 66.3 mt -69.73 -33.52 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.354 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.16 -34.36 77.39 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -64.99 -40.05 94.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.255 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.92 HD13 HD13 ' A' ' 42' ' ' LEU . 73.1 mt -58.29 -43.94 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.254 0.55 . . . . 0.0 109.885 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.77 HD11 HD11 ' A' ' 48' ' ' LEU . 6.8 mm -52.43 -52.49 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-O 121.852 0.834 . . . . 0.0 110.173 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t -55.23 -29.19 57.52 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -71.47 -33.89 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 44.2 m-85 -72.73 -28.18 62.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -32.4 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.807 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -58.66 -44.27 90.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.1 72.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.051 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.931 0.396 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.73 152.42 23.89 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.9 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.57 139.54 58.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 0.0 111.227 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.623 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -158.02 147.23 19.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.774 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.704 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.5 mt -96.51 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.182 0.515 . . . . 0.0 111.417 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.91 106.37 4.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.887 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.02 49.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.249 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm 62.84 12.08 5.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 8' ' ' ILE . 56.7 t -123.59 137.97 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 22.1 t -100.92 142.71 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.369 0.604 . . . . 0.0 111.624 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -162.18 -179.97 37.13 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.513 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.84 125.51 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.251 0.548 . . . . 0.0 111.152 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -101.48 121.9 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.992 -179.074 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.59 141.71 48.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.5 mt -108.92 109.51 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -103.62 109.69 21.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -94.06 -15.67 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.26 -23.11 21.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.54 154.29 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.976 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.29 107.81 9.47 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.79 148.61 90.96 Favored 'Cis proline' 0 C--N 1.349 0.557 0 C-N-CA 123.465 -1.473 . . . . 0.0 112.532 0.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -54.36 172.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.93 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -155.25 157.79 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.128 0.489 . . . . 0.0 111.86 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' CB ' HD21 ' A' ' 42' ' ' LEU . 2.2 tp -114.53 114.21 25.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.79 146.27 24.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.154 0.502 . . . . 0.0 111.932 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.529 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.5 t90 -134.27 112.01 10.7 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.588 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.524 ' HG3' HG22 ' A' ' 37' ' ' VAL . 21.2 ttp-105 -105.95 124.71 50.01 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -62.3 154.54 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -32.13 64.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.408 0.623 . . . . 0.0 110.275 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -66.99 -32.96 74.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.96 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.7 23.53 55.73 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.003 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -117.21 -17.13 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.634 0.254 . . . . 0.0 111.41 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -123.52 125.99 45.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 30' ' ' ARG . 29.9 t -127.0 120.48 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.6 t60 -109.03 142.23 40.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.5 m -119.24 135.75 54.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.315 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.508 ' HB ' HG22 ' A' ' 44' ' ' THR . 16.3 t -94.82 123.43 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.912 HD13 HD13 ' A' ' 107' ' ' ILE . 20.5 mt -88.04 -11.8 46.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.552 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.424 ' H ' HG12 ' A' ' 41' ' ' VAL . 9.8 t -80.36 -28.26 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.824 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.508 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.7 t -83.21 -19.15 37.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.682 ' CD1' HD23 ' A' ' 62' ' ' LEU . 37.7 mm -63.48 93.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -62.89 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -159.11 168.47 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -124.32 125.92 45.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -117.8 152.68 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.55 164.51 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 59' ' ' MET . 1.1 p -70.44 148.36 95.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.49 153.95 69.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.656 2.237 . . . . 0.0 112.407 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.56 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.431 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 t -89.79 -0.41 57.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 m -107.06 113.17 26.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.96 -19.33 17.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.793 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -87.97 120.01 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 tpp -94.29 119.88 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.496 ' HE2' ' SD ' ' A' ' 88' ' ' MET . 77.4 mtp -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 50' ' ' ALA . 6.1 tp -115.17 123.49 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.775 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -107.77 132.93 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.682 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.2 mp -115.77 129.07 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.8 mm -94.78 118.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.062 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.773 0.321 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -117.65 109.9 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.496 ' SD ' ' HE2' ' A' ' 59' ' ' MET . 43.6 ttm -94.91 122.27 37.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.69 155.08 24.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -118.26 119.99 36.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.43 179.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.6 m-85 -101.65 137.51 39.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 111.817 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.579 ' OD1' HD11 ' A' ' 8' ' ' ILE . 81.1 m-20 -98.1 9.21 43.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.257 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.56 ' ND2' HG23 ' A' ' 96' ' ' VAL . 42.1 t-20 -154.62 123.71 6.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.911 0.386 . . . . 0.0 111.343 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' A' ' 97' ' ' MET . 41.4 ttp180 -60.87 -40.57 93.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -42.31 96.59 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.114 0.483 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.56 HG23 ' ND2' ' A' ' 93' ' ' ASN . 60.4 t -70.57 -33.52 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.626 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.454 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.12 -31.41 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.687 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 97' ' ' MET . 87.3 m-20 -78.16 -27.91 48.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -71.3 -32.46 68.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.16 -45.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.44 ' CD ' ' HB2' ' A' ' 50' ' ' ALA . 27.9 ttpp -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.228 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.66 -30.75 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.479 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.2 -32.95 56.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.109 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.714 ' CD2' HD11 ' A' ' 18' ' ' ILE . 72.4 mt -70.97 -33.66 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.495 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.564 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -67.74 -35.08 78.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.134 0.492 . . . . 0.0 110.517 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 95.9 mm-40 -63.37 -41.49 98.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.912 HD13 HD13 ' A' ' 42' ' ' LEU . 87.7 mt -57.53 -43.03 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 110.002 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.492 HG13 HD22 ' A' ' 48' ' ' LEU . 6.7 mm -53.09 -52.13 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.788 0.804 . . . . 0.0 110.257 178.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -54.33 -29.75 48.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.273 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.43 -36.14 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.993 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -74.17 -30.47 62.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -75.17 -31.48 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.63 -37.88 79.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.15 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.86 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.884 0.373 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.409 ' N ' HD11 ' A' ' 100' ' ' ILE . . . -155.48 148.8 19.53 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.823 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 138.0 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 0.0 111.347 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.651 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.68 147.11 25.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.721 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.711 HG23 ' O ' ' A' ' 12' ' ' VAL . 27.4 mt -96.53 143.14 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.179 0.514 . . . . 0.0 111.385 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.515 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.11 106.27 4.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.861 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.3 mt-10 78.14 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 mttm 62.33 13.33 5.91 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 8' ' ' ILE . 97.0 t -124.39 138.36 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 23.2 t -102.63 144.6 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.462 0.649 . . . . 0.0 111.777 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.07 -179.88 39.26 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.452 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.7 127.52 43.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.232 0.539 . . . . 0.0 111.126 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.651 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.76 118.6 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.654 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.46 142.97 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.69 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -105.83 117.98 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -109.08 109.63 20.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -111.64 -5.33 14.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.63 -19.58 63.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.67 -162.06 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.697 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.52 113.13 0.8 Allowed Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 67.1 Cg_endo -73.79 151.49 97.08 Favored 'Cis proline' 0 C--N 1.347 0.494 0 C-N-CA 123.516 -1.452 . . . . 0.0 112.473 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.37 172.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.677 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -157.02 146.66 20.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.517 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.634 ' HB2' HD21 ' A' ' 42' ' ' LEU . 8.9 tt -109.14 113.6 26.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 147.14 25.84 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 121.032 0.444 . . . . 0.0 111.829 -178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -132.43 109.96 10.19 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.476 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HG3' HG22 ' A' ' 37' ' ' VAL . 59.0 ttt85 -105.23 126.71 52.39 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.1 p -60.52 160.82 8.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.05 -31.91 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.484 0.659 . . . . 0.0 110.04 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.56 -33.46 71.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.43 24.66 46.14 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.194 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -113.79 -19.23 11.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 111.294 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -124.01 127.29 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.479 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.9 t -127.74 121.34 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.4 t60 -108.9 142.29 39.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.46 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.9 m -115.41 131.13 57.03 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.739 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 24.7 t -114.74 139.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.243 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.669 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.4 t -93.81 119.62 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.807 ' CD1' HD13 ' A' ' 107' ' ' ILE . 19.5 mt -83.34 -11.82 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.605 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.428 ' H ' HG12 ' A' ' 41' ' ' VAL . 9.6 t -80.46 -26.25 38.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.684 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 41' ' ' VAL . 15.3 t -95.65 20.89 9.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.476 HG21 ' HG ' ' A' ' 62' ' ' LEU . 31.4 mm -105.13 101.09 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 111.062 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.99 -26.46 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.815 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.656 ' HG2' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -171.67 165.6 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.628 HD23 HD11 ' A' ' 108' ' ' ILE . 3.2 pp -133.08 116.6 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -110.95 154.4 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.047 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.53 161.05 38.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.4 p -70.57 148.86 95.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 161.81 44.54 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.543 2.162 . . . . 0.0 112.407 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -12.09 61.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.53 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.09 57.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 0.0 111.295 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -104.61 114.31 28.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.608 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.19 -18.98 29.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.708 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -96.05 103.94 15.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtt -81.63 122.71 27.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.6 mtt -150.16 138.33 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.047 HD12 ' HB2' ' A' ' 50' ' ' ALA . 6.2 tp -115.33 117.51 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.797 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -103.26 139.08 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HG ' HG21 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -122.09 124.12 43.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.656 HD13 ' HG2' ' A' ' 47' ' ' LYS . 4.5 mp -102.4 129.86 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.942 0.401 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -109.34 115.08 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.6 mtt -100.1 125.32 46.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -117.1 161.85 18.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.589 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -128.08 118.91 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.457 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.5 m-85 -98.71 137.74 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -97.94 10.44 40.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.444 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.542 ' ND2' HG23 ' A' ' 96' ' ' VAL . 45.5 t-20 -155.3 121.63 5.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.909 0.385 . . . . 0.0 111.222 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 36.3 ptt-85 -64.89 -27.43 68.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.759 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -46.15 40.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.281 0.562 . . . . 0.0 110.048 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.542 HG23 ' ND2' ' A' ' 93' ' ' ASN . 46.6 t -67.9 -32.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.553 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.548 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.03 -29.52 61.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.03 -32.19 68.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.481 ' HA ' HG22 ' A' ' 103' ' ' THR . 26.8 mm -86.0 -44.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.029 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.618 ' HD2' ' HB3' ' A' ' 50' ' ' ALA . 21.7 ttpp -56.57 -40.58 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.7 mtm -74.45 -40.33 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.357 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.2 t -71.4 -30.01 65.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.519 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.69 ' CD2' HD11 ' A' ' 18' ' ' ILE . 22.8 mt -72.7 -33.51 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.303 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.544 ' HA ' HD21 ' A' ' 48' ' ' LEU . 56.5 mt-30 -66.78 -32.71 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -41.38 93.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.807 HD13 ' CD1' ' A' ' 42' ' ' LEU . 80.3 mt -57.77 -43.53 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.886 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.628 HD11 HD23 ' A' ' 48' ' ' LEU . 5.3 mm -52.64 -52.56 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.823 0.82 . . . . 0.0 110.237 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -56.21 -31.24 63.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -72.16 -33.71 67.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 19.9 m-85 -71.7 -29.03 64.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.576 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -70.56 -39.34 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.694 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -59.45 -36.59 76.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.44 71.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.977 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.033 0.444 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.26 146.34 13.81 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.907 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.45 138.49 58.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 0.0 111.324 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.644 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.43 147.97 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.772 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 12' ' ' VAL . 28.3 mt -96.55 143.19 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 121.133 0.492 . . . . 0.0 111.352 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.522 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.78 106.35 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.856 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.0 mt-10 78.24 49.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.201 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.54 13.09 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 8' ' ' ILE . 98.2 t -124.2 138.29 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 25.8 t -101.46 144.48 30.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.368 0.604 . . . . 0.0 111.807 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.72 -179.89 39.03 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.447 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.14 126.83 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.238 0.542 . . . . 0.0 111.14 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.72 120.49 51.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.628 -179.519 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.5 143.51 45.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.64 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -102.44 115.6 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -105.56 109.74 21.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 45.6 mt-10 -109.47 -5.44 15.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.958 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.56 -19.85 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.298 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.687 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -95.42 -162.22 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.687 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.01 113.06 0.76 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.417 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 61.5 Cg_endo -72.92 151.96 97.6 Favored 'Cis proline' 0 C--N 1.347 0.453 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.471 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.27 165.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -152.98 148.63 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 111.38 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.6 HD21 HG23 ' A' ' 16' ' ' ILE . 9.5 tt -107.49 115.42 30.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.373 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.06 147.22 25.78 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.155 0.502 . . . . 0.0 111.791 -178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.522 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -131.89 109.97 10.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.483 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.611 ' HG2' HG22 ' A' ' 37' ' ' VAL . 88.6 mtt180 -104.42 128.25 52.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -59.93 161.43 6.59 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -32.4 71.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.481 0.658 . . . . 0.0 110.084 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.86 -32.25 61.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.05 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.35 25.76 46.31 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.052 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -107.69 -21.25 12.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.797 0.332 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -127.13 130.31 49.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.611 HG22 ' HG2' ' A' ' 30' ' ' ARG . 21.6 t -126.77 122.69 61.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.217 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.9 t60 -108.91 142.31 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.428 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.2 m -114.69 136.73 52.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 26.3 t -116.67 141.89 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.282 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.648 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.8 t -94.56 123.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.01 HD13 HD13 ' A' ' 107' ' ' ILE . 12.9 mt -86.86 -11.79 49.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.688 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.441 ' H ' HG12 ' A' ' 41' ' ' VAL . 4.7 t -80.24 -25.75 39.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.691 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.6 t -96.2 21.27 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.2 mm -104.5 95.88 4.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.251 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -61.47 -30.98 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -170.47 156.08 5.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -119.27 125.26 48.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.72 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.493 HE21 HD11 ' A' ' 63' ' ' ILE . 58.8 mt-30 -108.88 146.06 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.84 157.38 46.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.45 143.51 90.5 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.46 157.88 48.64 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.549 2.166 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.51 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m -89.94 0.67 56.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.283 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -106.32 112.24 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 110.632 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -56.78 -19.24 16.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.435 ' O ' HG21 ' A' ' 51' ' ' THR . 50.2 pttt -86.47 123.23 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -101.37 105.75 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 81.7 mtp -151.05 136.49 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 tt -115.34 122.35 45.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -103.47 145.41 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.427 HD23 HD12 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -130.5 123.35 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 HE21 ' A' ' 49' ' ' GLN . 33.4 mm -76.02 139.22 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -103.8 109.53 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.7 mtt -96.04 122.53 38.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -114.13 159.03 20.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.561 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -125.26 119.07 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.605 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.9 m-85 -98.49 138.29 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.031 0.443 . . . . 0.0 111.703 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.63 10.04 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.543 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.469 ' ND2' HG23 ' A' ' 96' ' ' VAL . 43.1 t-20 -153.8 125.69 7.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 97' ' ' MET . 94.3 mtt180 -63.25 -28.09 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 -45.05 40.7 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.304 0.573 . . . . 0.0 109.91 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.469 HG23 ' ND2' ' A' ' 93' ' ' ASN . 58.3 t -68.38 -31.51 51.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.882 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.46 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 12.6 ptt? -77.31 -33.08 55.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.46 -24.88 36.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -73.92 -29.47 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.4 mm -86.07 -43.57 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.355 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 102' ' ' MET . 12.6 ptpt -50.37 -38.12 40.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.471 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 71.5 mtm -71.66 -48.34 48.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 111.138 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 -41.32 91.23 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.8 ' HB2' HD13 ' A' ' 48' ' ' LEU . 77.0 mt -65.22 -35.91 82.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.712 ' HA ' HD21 ' A' ' 48' ' ' LEU . 3.4 mt-30 -67.66 -32.99 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.656 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.66 -40.53 92.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.217 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 1.01 HD13 HD13 ' A' ' 42' ' ' LEU . 82.9 mt -57.88 -43.95 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.127 0.489 . . . . 0.0 109.794 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.424 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.2 mm -52.27 -52.5 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.748 0.785 . . . . 0.0 110.195 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -56.2 -31.61 63.61 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.089 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -72.81 -34.49 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 16.9 m-85 -72.74 -28.99 62.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.533 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -71.5 -37.18 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.718 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -58.31 -36.96 74.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.18 73.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.936 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.944 0.402 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.57 149.03 20.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.809 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 137.3 58.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.631 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -154.21 147.08 24.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.806 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.4 mt -96.47 143.22 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.041 0.448 . . . . 0.0 111.409 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.32 106.27 4.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.024 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.7 mt-10 77.97 49.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.292 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.44 12.72 5.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.2 t -123.79 138.46 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.3 t -101.98 143.97 31.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.535 0.683 . . . . 0.0 111.916 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.5 -179.91 39.51 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.107 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -92.33 128.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.324 0.583 . . . . 0.0 111.195 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.631 HD12 ' CB ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.75 118.13 48.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.693 -179.467 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.47 142.28 40.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.658 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.6 mt -109.66 110.18 31.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -109.6 109.8 20.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 2.2 pt-20 -93.85 -14.15 26.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.6 -23.36 27.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.943 0.401 . . . . 0.0 110.69 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.27 154.81 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.007 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.72 107.99 8.41 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.5 148.42 88.37 Favored 'Cis proline' 0 C--N 1.348 0.546 0 C-N-CA 123.657 -1.393 . . . . 0.0 112.402 0.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -56.71 169.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.4 156.56 32.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 0.0 111.467 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.548 ' C ' HD23 ' A' ' 27' ' ' LEU . 8.9 tt -113.45 118.78 35.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.349 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.2 147.3 25.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.048 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.7 t90 -132.96 109.94 9.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.542 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.513 ' HG3' HG22 ' A' ' 37' ' ' VAL . 57.7 ttt85 -104.38 126.68 51.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.09 161.41 6.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.776 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -32.35 71.35 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.03 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.98 -33.44 70.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.036 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.78 25.11 47.14 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.072 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -112.74 -19.67 11.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.285 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -125.26 126.34 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.727 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.513 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.1 t -125.31 121.95 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.069 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.2 t60 -108.91 142.27 39.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 5.8 m -113.59 133.61 55.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.55 141.34 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG22 ' A' ' 44' ' ' THR . 20.5 t -91.93 123.44 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.644 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.799 ' CD1' HD13 ' A' ' 107' ' ' ILE . 20.0 mt -88.0 -11.8 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.676 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -79.44 -28.78 41.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.3 t -82.74 -17.93 42.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.646 ' CD1' HD23 ' A' ' 62' ' ' LEU . 31.6 mm -68.49 93.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.237 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -62.22 -30.13 70.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.77 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -164.42 154.37 14.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.631 HD23 HG13 ' A' ' 108' ' ' ILE . 1.8 pp -115.04 116.17 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.651 ' O ' HD12 ' A' ' 60' ' ' LEU . 4.3 tp-100 -103.46 145.83 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.638 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -137.4 155.0 49.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 59' ' ' MET . 44.4 p -70.58 149.51 95.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.77 169.06 18.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.624 2.216 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.09 -6.04 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.601 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -89.79 -0.71 57.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.11 112.56 25.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.695 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.78 -18.57 22.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.913 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -92.88 135.3 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.403 ' HE1' ' HG3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -99.31 120.06 38.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.864 ' O ' HG23 ' A' ' 51' ' ' THR . 38.4 ttm -151.13 129.82 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 49' ' ' GLN . 28.1 tp -115.14 122.86 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -105.5 130.07 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.004 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.646 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.7 mp -109.42 130.54 55.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.0 124.02 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.385 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.919 0.39 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -111.74 116.0 30.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 71.2 mtm -96.18 111.04 23.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.55 143.54 32.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.69 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -112.8 122.62 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.463 179.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.0 m-85 -101.01 146.46 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 111.721 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.526 ' OD1' HD11 ' A' ' 8' ' ' ILE . 76.3 m-20 -102.64 8.7 39.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.448 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.468 HD22 HG23 ' A' ' 96' ' ' VAL . 18.1 t30 -161.34 134.4 6.32 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.943 0.402 . . . . 0.0 111.636 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.444 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.5 mtt180 -64.42 -40.8 96.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.475 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -39.97 95.76 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.156 0.503 . . . . 0.0 110.603 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.468 HG23 HD22 ' A' ' 93' ' ' ASN . 64.2 t -72.64 -35.12 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.384 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.468 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 7.5 ptm -75.61 -32.64 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.324 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 -28.77 48.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.17 -32.7 67.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.07 -44.37 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.3 -41.11 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mmm -72.25 -38.68 68.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.129 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.515 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -72.14 -37.29 69.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.96 179.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.658 ' CD2' HD11 ' A' ' 18' ' ' ILE . 25.9 mt -68.04 -31.96 71.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.285 179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.527 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.7 mm100 -66.2 -35.76 81.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.16 -41.49 97.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.308 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.799 HD13 ' CD1' ' A' ' 42' ' ' LEU . 80.7 mt -57.57 -43.79 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.631 HG13 HD23 ' A' ' 48' ' ' LEU . 4.9 mm -52.24 -52.6 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.81 0.814 . . . . 0.0 110.236 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.2 m -53.43 -29.81 37.24 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.321 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -71.26 -34.14 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 107' ' ' ILE . 59.2 m-85 -70.38 -28.52 65.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.669 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -69.44 -35.02 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.36 -37.58 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.72 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.31 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 121.035 0.445 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 149.69 20.27 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.787 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.25 137.3 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 0.0 111.385 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.627 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.55 148.07 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.674 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' VAL . 30.9 mt -96.5 143.35 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 111.391 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.526 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.7 t80 -144.79 106.38 4.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.069 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.57 49.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.376 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? 61.44 15.03 6.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 79.0 t -125.63 140.19 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 m -103.09 147.95 26.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.5 0.667 . . . . 0.0 112.062 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -170.18 180.0 42.06 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.049 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -93.87 129.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.363 0.601 . . . . 0.0 111.221 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.627 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.78 118.6 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.636 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.8 143.17 43.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.708 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -104.16 118.52 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 120.986 0.422 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -109.07 109.68 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 7.1 pt-20 -111.01 -5.66 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.927 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.82 -19.81 62.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.268 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.684 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -96.7 -161.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.684 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.6 p -165.98 113.31 0.77 Allowed Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.788 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 63.1 Cg_endo -73.19 151.55 97.2 Favored 'Cis proline' 0 C--N 1.348 0.506 0 C-N-CA 123.481 -1.466 . . . . 0.0 112.46 -0.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.612 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -156.67 147.05 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 111.476 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.714 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.2 tt -108.14 113.92 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.381 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 147.27 25.77 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 121.099 0.476 . . . . 0.0 111.757 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -131.38 109.92 10.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.451 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 93.9 mtt-85 -103.77 125.32 50.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -56.91 164.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.811 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -33.5 70.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.404 0.621 . . . . 0.0 109.983 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -77.33 -37.83 51.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 -23.65 29.01 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.102 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.13 -21.63 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -107.35 126.25 52.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.947 0.403 . . . . 0.0 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.99 113.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.8 t60 -110.88 142.22 43.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.206 0.527 . . . . 0.0 111.231 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 9.0 m -114.38 132.55 56.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.803 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 22.3 t -116.38 142.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.322 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' HG22 ' A' ' 44' ' ' THR . 15.9 t -94.36 122.98 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.664 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.809 ' CD1' HD13 ' A' ' 107' ' ' ILE . 23.7 mt -87.96 -11.88 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.612 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 12.0 t -80.55 -27.57 37.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.896 0.379 . . . . 0.0 110.79 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.555 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.3 t -86.19 -5.86 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.354 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.404 ' CD1' HD23 ' A' ' 62' ' ' LEU . 30.5 mm -80.38 98.97 3.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.882 0.373 . . . . 0.0 111.244 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -60.92 -27.93 68.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.713 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -172.18 149.26 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' ' 105' ' ' GLN . 3.3 pp -109.19 116.42 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.791 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -104.18 155.42 18.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.728 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.6 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 59' ' ' MET . 71.6 p -70.5 152.13 95.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.47 159.25 51.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.532 2.154 . . . . 0.0 112.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -10.63 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.57 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.6 m -89.74 -0.06 57.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 114.19 28.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -57.24 -19.34 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -90.52 104.53 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.08 114.65 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.655 ' O ' HG23 ' A' ' 51' ' ' THR . 53.0 mtt -145.11 146.84 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.728 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 3.2 mm? -115.32 137.76 51.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -116.87 124.88 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.1 mp -101.76 132.51 47.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.01 123.8 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.4 179.856 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -128.05 112.04 14.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -100.02 119.84 38.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -111.32 155.68 22.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.049 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -123.55 120.56 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.67 ' CD1' HD23 ' A' ' 60' ' ' LEU . 27.8 m-85 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.055 0.455 . . . . 0.0 111.663 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -97.26 10.87 38.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.48 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.83 ' OD1' HG23 ' A' ' 96' ' ' VAL . 17.7 t-20 -155.22 117.36 4.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.975 0.417 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 97' ' ' MET . 6.3 tmm_? -60.86 -29.02 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.893 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.19 -47.3 44.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.249 0.547 . . . . 0.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.83 HG23 ' OD1' ' A' ' 93' ' ' ASN . 59.3 t -67.17 -31.07 51.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.577 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.52 ' SD ' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -73.51 -33.16 64.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.647 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 97' ' ' MET . 46.8 t0 -73.73 -29.42 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.79 -30.1 63.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.552 ' HA ' HG22 ' A' ' 103' ' ' THR . 29.5 mm -86.13 -42.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 22.0 ttpp -57.78 -39.55 77.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.266 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.401 ' HE2' ' OD1' ' A' ' 98' ' ' ASP . 64.7 mtt -77.26 -40.47 44.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.394 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.3 t -69.95 -31.4 69.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 18' ' ' ILE . 25.7 mt -71.72 -34.4 69.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.592 ' HA ' HD21 ' A' ' 48' ' ' LEU . 25.7 mt-30 -66.55 -31.63 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.17 -42.3 93.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.333 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.809 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.0 mt -57.19 -43.58 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.115 0.483 . . . . 0.0 109.838 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.416 HG12 ' HA ' ' A' ' 105' ' ' GLN . 6.2 mm -52.31 -52.81 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.808 0.814 . . . . 0.0 110.162 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.6 t -57.03 -27.13 61.36 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -33.25 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 30.8 m-85 -71.27 -28.76 64.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.39 -39.79 74.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.744 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.29 -32.92 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.857 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.017 0.437 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.25 150.85 22.45 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.97 138.51 58.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.99 0.424 . . . . 0.0 111.331 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.764 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.3 mt -96.61 143.16 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 CA-C-O 121.051 0.453 . . . . 0.0 111.314 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.82 106.36 4.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.912 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.23 49.54 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.217 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm 62.45 13.11 5.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 8' ' ' ILE . 98.3 t -124.11 138.53 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -101.81 144.75 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.378 0.608 . . . . 0.0 111.768 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.85 -179.95 39.16 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.368 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.53 126.35 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 0.0 111.089 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.67 119.92 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.659 -179.486 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.35 142.8 46.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -104.92 113.12 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -102.47 109.67 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 6.5 pt-20 -108.75 -3.8 17.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.908 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -63.68 -19.9 65.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.162 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.684 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.55 -161.9 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.777 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.684 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.18 113.22 0.75 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.96 151.6 97.22 Favored 'Cis proline' 0 C--N 1.346 0.444 0 C-N-CA 123.632 -1.403 . . . . 0.0 112.265 -0.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -156.57 150.25 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 111.477 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.675 ' HB2' HD21 ' A' ' 42' ' ' LEU . 8.9 tt -110.47 112.8 24.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.545 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.21 25.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.815 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -131.41 110.71 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.425 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HG2' HG22 ' A' ' 37' ' ' VAL . 72.5 mtp85 -105.27 127.1 52.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.13 160.04 8.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.964 0.411 . . . . 0.0 110.779 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -32.2 70.34 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.413 0.625 . . . . 0.0 110.012 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.57 -32.63 64.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.51 25.47 46.86 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.012 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -109.82 -20.48 12.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -126.29 128.21 46.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' A' ' 30' ' ' ARG . 21.9 t -126.02 121.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.139 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.6 t60 -108.95 142.36 39.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.193 0.52 . . . . 0.0 111.082 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 8.6 m -115.1 131.77 56.82 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.89 141.45 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.14 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.639 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.0 t -95.08 120.22 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 27' ' ' LEU . 20.3 mt -84.49 -11.87 55.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.55 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 7.5 t -81.15 -24.86 37.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.721 0.296 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.639 HG22 ' HB ' ' A' ' 41' ' ' VAL . 15.1 t -95.1 20.68 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.694 ' CD1' HD23 ' A' ' 62' ' ' LEU . 34.0 mm -96.61 100.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.16 -27.37 65.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -176.63 163.74 2.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.835 HD21 ' HB3' ' A' ' 104' ' ' LEU . 1.2 mp -103.74 138.35 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -127.18 138.21 53.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.792 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -137.62 154.92 49.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -70.58 151.91 95.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.21 152.04 76.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.183 . . . . 0.0 112.384 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.82 -15.59 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.496 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.2 m -89.73 -0.12 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.336 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 113.67 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.79 -18.98 25.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.777 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -84.4 112.05 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.8 mtm -88.54 116.54 26.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 85.8 mtp -150.99 133.58 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' ' 50' ' ' ALA . 14.5 tp -115.3 113.1 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.541 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -103.01 135.32 44.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.694 HD23 ' CD1' ' A' ' 45' ' ' ILE . 1.7 mp -111.54 128.3 55.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.736 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.427 HD12 ' HG2' ' A' ' 86' ' ' ARG . 10.1 mm -86.77 127.63 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.359 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HG2' HD12 ' A' ' 63' ' ' ILE . 13.1 mtp180 . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.887 0.375 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.54 109.46 21.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.533 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 37.2 ttm -94.9 128.28 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 87.6 m-85 -119.35 163.04 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.695 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -127.37 122.39 33.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.407 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.7 m-85 -103.62 150.25 24.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.0 111.871 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -108.1 10.9 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.132 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' ND2' HG23 ' A' ' 96' ' ' VAL . 41.7 t-20 -156.29 129.48 8.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.892 0.377 . . . . 0.0 111.36 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 97' ' ' MET . 95.6 mtt180 -67.45 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.72 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -44.89 33.65 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.231 0.538 . . . . 0.0 109.773 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' ND2' ' A' ' 93' ' ' ASN . 57.9 t -68.4 -32.28 54.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.709 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.465 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -75.93 -34.26 59.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -79.24 -27.1 42.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -71.08 -31.41 67.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 104' ' ' LEU . 28.6 mm -85.21 -46.69 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 27.2 ttpp -58.99 -39.26 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.747 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 tpp -70.76 -38.92 73.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.514 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.34 -24.34 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.835 ' HB3' HD21 ' A' ' 48' ' ' LEU . 30.9 mt -80.8 -29.57 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -71.09 -35.78 71.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 103' ' ' THR . 10.1 pt20 -66.21 -38.17 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.018 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.565 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.7 mt -58.83 -43.54 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.87 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.718 HD11 HD11 ' A' ' 48' ' ' LEU . 6.6 mm -52.76 -52.36 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.864 0.84 . . . . 0.0 110.3 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.8 t -54.44 -30.78 53.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.288 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -71.19 -32.11 68.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 38.5 m-85 -71.18 -28.49 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.681 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -69.65 -35.6 75.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.766 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.06 -37.85 81.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.41 73.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.874 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.996 0.427 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.39 147.25 14.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.82 138.47 58.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.105 0.478 . . . . 0.0 111.301 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.658 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -154.08 148.29 25.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.791 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.694 HG23 ' O ' ' A' ' 12' ' ' VAL . 26.3 mt -96.6 143.15 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.072 0.463 . . . . 0.0 111.345 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.18 106.29 4.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.846 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.7 mt-10 78.55 49.26 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.214 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttt 62.16 13.84 6.14 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 8' ' ' ILE . 61.5 t -124.9 138.6 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -101.52 146.05 28.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.397 0.618 . . . . 0.0 111.777 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.4 -179.93 40.02 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.368 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.28 127.66 44.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.23 0.538 . . . . 0.0 111.117 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.658 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.73 118.47 48.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.686 -179.498 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.19 143.55 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.679 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -102.19 119.72 50.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.06 109.61 20.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 8.0 pt-20 -112.88 -6.7 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.86 -19.54 62.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.315 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.685 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.61 -162.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.685 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.53 112.96 0.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.66 151.27 96.82 Favored 'Cis proline' 0 C--N 1.347 0.499 0 C-N-CA 123.526 -1.447 . . . . 0.0 112.453 0.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.4 169.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.89 146.43 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.401 . . . . 0.0 111.388 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 27' ' ' LEU . 9.3 tt -106.25 115.52 30.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 147.27 25.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.921 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -132.35 110.02 10.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.702 ' HG2' HG22 ' A' ' 37' ' ' VAL . 98.0 mtt180 -103.45 127.6 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -60.01 161.83 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 110.743 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.29 -31.99 71.83 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.423 0.63 . . . . 0.0 110.006 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.69 -32.26 65.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.074 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.09 24.66 47.5 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.083 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -112.1 -22.2 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -120.26 127.79 52.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.702 HG22 ' HG2' ' A' ' 30' ' ' ARG . 33.1 t -126.91 120.59 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.18 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' TRP . 8.2 t60 -108.97 142.26 39.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.419 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 6.9 m -114.86 135.42 54.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.706 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 24.5 t -117.94 140.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.248 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.643 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.0 t -95.03 122.86 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' A' ' 107' ' ' ILE . 18.2 mt -88.06 -11.78 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.581 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 35.0 p -80.59 -24.91 38.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.643 HG22 ' HB ' ' A' ' 41' ' ' VAL . 13.6 t -96.56 20.88 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.561 ' CD1' HD23 ' A' ' 62' ' ' LEU . 34.0 mm -103.53 101.52 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.874 0.368 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.55 -26.33 65.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -173.61 165.97 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.699 HD23 HG13 ' A' ' 108' ' ' ILE . 2.8 pp -124.57 123.76 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.722 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.685 ' O ' HD12 ' A' ' 60' ' ' LEU . 32.6 mt-30 -108.55 147.38 31.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.46 151.38 43.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.409 HG21 ' O ' ' A' ' 57' ' ' LYS . 4.6 p -71.87 143.97 87.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.5 164.94 32.8 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.586 2.19 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.94 -12.76 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.468 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.77 -0.52 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.09 114.9 29.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.378 . . . . 0.0 110.583 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.96 -18.95 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.752 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' O ' HG21 ' A' ' 51' ' ' THR . 14.8 mtpt -95.79 104.33 16.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.412 ' HE3' ' CA ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -87.84 110.3 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.7 mtp -144.86 144.4 31.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.019 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 49' ' ' GLN . 27.0 tp -115.38 125.57 53.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -110.92 142.4 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 45' ' ' ILE . 1.0 OUTLIER -122.44 124.68 44.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.836 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.526 HD12 ' HG2' ' A' ' 86' ' ' ARG . 19.4 mm -89.8 125.17 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.404 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.526 ' HG2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.879 0.371 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -102.07 112.8 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 47.5 ttm -96.01 122.22 38.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.003 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.65 156.86 22.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.627 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -123.47 118.56 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.3 m-85 -98.82 140.12 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.118 0.485 . . . . 0.0 111.659 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.485 ' OD1' HD11 ' A' ' 8' ' ' ILE . 29.9 m120 -99.53 10.74 40.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.478 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.458 ' ND2' HG23 ' A' ' 96' ' ' VAL . 46.2 t-20 -155.74 129.65 8.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 111.424 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 59.1 mtp180 -66.63 -27.9 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.817 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.41 -45.5 46.25 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.297 0.57 . . . . 0.0 110.047 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.458 HG23 ' ND2' ' A' ' 93' ' ' ASN . 46.6 t -69.69 -32.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.746 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.458 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 3.2 ppp? -78.64 -31.92 47.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.4 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -80.64 -26.07 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.65 -29.35 61.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 mm -85.96 -41.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -54.67 -35.34 63.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.474 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mtm -78.67 -47.68 16.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.948 0.404 . . . . 0.0 111.516 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -62.19 -40.61 96.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.613 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.679 ' CD2' HD11 ' A' ' 18' ' ' ILE . 26.5 mt -65.32 -33.25 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.449 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.595 ' HA ' HD21 ' A' ' 48' ' ' LEU . 44.1 mt-30 -66.58 -32.92 74.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.57 -41.12 93.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.408 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.763 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.3 mt -58.08 -43.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.461 . . . . 0.0 109.955 178.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.699 HG13 HD23 ' A' ' 48' ' ' LEU . 6.5 mm -52.58 -52.44 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.71 0.766 . . . . 0.0 110.184 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 p -53.67 -35.84 61.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.113 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -67.08 -32.11 73.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 27.5 m-85 -71.83 -28.9 63.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.664 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.83 -34.22 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.34 -37.71 78.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.22 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.921 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.003 0.43 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 149.28 18.64 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.915 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.97 138.22 58.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.041 0.448 . . . . 0.0 111.345 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.659 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.77 148.56 22.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.762 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.723 HG23 ' O ' ' A' ' 12' ' ' VAL . 30.6 mt -96.54 143.27 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 CA-C-O 121.093 0.473 . . . . 0.0 111.377 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.6 t80 -143.53 106.36 4.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.147 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 58.0 mm-40 77.61 50.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.337 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 61.83 13.32 5.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 8' ' ' ILE . 74.7 t -124.55 139.22 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -100.58 146.7 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.473 0.654 . . . . 0.0 111.896 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.26 -179.93 40.48 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.079 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.502 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -94.91 129.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.34 0.59 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.819 HG23 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.52 123.28 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.96 -179.209 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.94 49.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 18' ' ' ILE . 0.9 OUTLIER -100.71 110.87 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.63 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -93.15 109.47 20.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -107.41 -7.24 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.61 -20.77 50.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.92 -161.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.672 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -167.42 113.92 0.65 Allowed Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.434 ' O ' HG13 ' A' ' 22' ' ' VAL . 11.5 Cg_exo -70.95 153.36 95.95 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.674 -1.386 . . . . 0.0 112.192 0.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.18 172.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.49 161.03 40.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 111.544 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.819 HD21 HG23 ' A' ' 16' ' ' ILE . 1.7 tm? -115.14 106.97 14.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.108 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.6 146.57 25.04 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 120.994 0.426 . . . . 0.0 112.083 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -134.3 110.02 9.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.591 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.585 ' HG3' HG22 ' A' ' 37' ' ' VAL . 38.9 ttm180 -102.44 128.48 49.03 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -61.16 161.43 8.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.853 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -32.08 72.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.014 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.29 -32.38 68.58 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.09 51.03 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.05 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -114.03 -19.75 11.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.789 0.328 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -124.49 127.31 47.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.0 t -127.93 124.89 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.166 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.2 t60 -108.85 142.19 39.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.298 0.57 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 17.8 m -119.49 134.71 55.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.78 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 16.7 t -122.12 142.36 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.231 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 43' ' ' SER . 24.7 t -94.33 117.82 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.829 ' CD1' HD13 ' A' ' 107' ' ' ILE . 17.8 mt -76.89 -11.59 59.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.673 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.518 ' H ' HG12 ' A' ' 41' ' ' VAL . 1.3 t -77.04 -24.71 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.836 0.351 . . . . 0.0 110.697 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 41' ' ' VAL . 13.6 t -96.55 24.26 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.489 HD12 ' HG ' ' A' ' 62' ' ' LEU . 34.4 mm -104.21 100.24 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.94 0.4 . . . . 0.0 111.2 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -59.54 -28.01 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -176.36 165.13 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.834 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.727 HD11 ' CG ' ' A' ' 105' ' ' GLN . 2.6 pt? -128.02 130.75 48.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.744 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 91.4 mt-30 -119.42 161.79 19.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.58 154.78 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -70.61 148.09 94.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.16 161.65 45.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.533 2.155 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.7 -11.66 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.558 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.0 m -89.75 -0.18 57.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 p -104.21 113.36 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.585 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.57 -19.07 23.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -96.01 117.32 30.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.4 mmm -91.34 119.57 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.05 145.86 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 3.7 mm? -115.13 133.37 56.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.458 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 54.9 mtt85 -102.98 145.32 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' HD12 ' A' ' 45' ' ' ILE . 3.5 tp -126.89 117.15 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.6 mm -88.91 125.38 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.134 179.632 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.935 0.398 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -123.72 116.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.581 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.9 mtm -102.73 117.53 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 58.7 m-85 -105.04 149.47 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.708 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -116.77 126.82 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.343 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.3 m-85 -108.23 139.97 42.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.518 . . . . 0.0 112.044 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.432 ' OD1' HD11 ' A' ' 8' ' ' ILE . 82.0 m-20 -101.4 9.8 41.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.1 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.568 HD22 HG23 ' A' ' 96' ' ' VAL . 3.1 t30 -153.8 125.63 7.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 111.408 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 97' ' ' MET . 91.6 mtt180 -63.49 -41.68 98.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.517 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.92 97.82 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.089 0.471 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.568 HG23 HD22 ' A' ' 93' ' ' ASN . 85.0 t -69.31 -37.93 76.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.5 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 2.5 ptt? -72.31 -35.48 68.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.6 ' HA ' ' HZ3' ' A' ' 101' ' ' LYS . 81.4 m-20 -72.29 -31.32 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -70.81 -34.72 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.482 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.8 mm -86.24 -43.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.9 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.6 ' HZ3' ' HA ' ' A' ' 98' ' ' ASP . 7.9 ttpm? -55.15 -49.9 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.74 -34.12 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -36.09 66.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.2 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 107' ' ' ILE . 63.1 mt -68.44 -35.01 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.454 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.727 ' CG ' HD11 ' A' ' 48' ' ' LEU . 64.0 mt-30 -66.57 -34.46 77.95 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -65.35 -40.64 93.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.829 HD13 ' CD1' ' A' ' 42' ' ' LEU . 77.4 mt -57.98 -44.01 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.192 0.52 . . . . 0.0 109.856 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.693 HG13 HD22 ' A' ' 48' ' ' LEU . 5.4 mm -51.59 -52.69 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.854 0.835 . . . . 0.0 110.133 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.4 t -52.67 -28.49 21.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.208 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -70.29 -35.04 73.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 66.0 m-85 -71.51 -27.88 63.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.644 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -35.25 70.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.655 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -60.81 -39.21 88.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.31 -33.32 74.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.9 t0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.998 0.428 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.594 ' N ' HD11 ' A' ' 100' ' ' ILE . . . -159.25 153.51 24.59 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.926 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.02 139.32 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.93 0.395 . . . . 0.0 111.344 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.662 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.24 149.04 22.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.606 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 12' ' ' VAL . 28.2 mt -96.57 143.4 12.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 111.279 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.539 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t80 -144.57 106.35 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.117 178.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 71.8 mt-10 77.5 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.21 15.2 6.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 8' ' ' ILE . 71.2 t -126.2 140.37 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.3 p -99.19 150.46 22.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.42 0.629 . . . . 0.0 111.807 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.17 174.02 44.82 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.592 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -90.41 126.65 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.906 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.21 122.5 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.996 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -122.94 141.82 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.873 HG13 HD13 ' A' ' 27' ' ' LEU . 1.4 mt -107.29 109.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -102.46 109.71 21.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -92.52 -14.57 28.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.229 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.74 -23.83 19.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.95 0.405 . . . . 0.0 110.632 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.86 154.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.004 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -136.36 107.94 9.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 59.8 Cg_endo -72.31 148.4 91.18 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 123.444 -1.482 . . . . 0.0 112.658 0.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.43 172.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.998 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' OE1' HG21 ' A' ' 39' ' ' THR . 93.2 mt-10 -156.35 160.54 39.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.131 0.491 . . . . 0.0 111.696 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.906 HD11 HG23 ' A' ' 16' ' ' ILE . 14.6 tp -112.49 114.61 27.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.137 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.51 24.32 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.141 0.496 . . . . 0.0 112.33 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.539 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.44 109.87 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.388 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.58 ' HG3' HG13 ' A' ' 37' ' ' VAL . 2.1 mpt_? -101.69 125.05 48.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -57.98 154.57 12.25 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.066 0.46 . . . . 0.0 111.043 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -30.82 66.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.93 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -71.93 -32.37 67.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.98 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.86 24.51 48.99 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.046 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -114.49 -18.36 11.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.326 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -125.9 133.27 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.58 HG13 ' HG3' ' A' ' 30' ' ' ARG . 22.1 t -129.49 120.87 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.0 t60 -108.94 142.14 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.991 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.464 HG21 ' OE1' ' A' ' 26' ' ' GLU . 25.7 m -122.42 133.19 54.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.752 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 23.1 t -113.05 133.34 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.66 ' O ' HG22 ' A' ' 44' ' ' THR . 4.0 t -86.56 112.84 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.85 ' CD1' HD13 ' A' ' 107' ' ' ILE . 20.8 mt -72.33 -11.86 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.793 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 82.7 p -78.67 -26.9 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.682 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 41' ' ' VAL . 9.8 t -86.67 -22.18 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.658 ' CD1' HD23 ' A' ' 62' ' ' LEU . 39.1 mm -62.34 94.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.2 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.735 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -161.18 164.48 30.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.838 HD11 ' CG ' ' A' ' 105' ' ' GLN . 2.3 pt? -127.39 135.88 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -124.36 144.86 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.77 160.69 38.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.231 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.442 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.31 147.27 95.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.4 154.2 69.48 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.42 -17.73 64.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -89.75 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.397 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -107.04 113.8 27.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.21 -18.8 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' O ' HG21 ' A' ' 51' ' ' THR . 97.6 mttt -86.21 116.87 24.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.75 113.1 24.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.6 mtp -150.95 133.38 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 61' ' ' ARG . 4.9 tt -115.34 128.36 56.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.434 ' N ' HD23 ' A' ' 60' ' ' LEU . 29.9 ttm180 -108.81 137.82 46.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.988 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.658 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.1 mp -119.3 127.96 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.18 136.35 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.286 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.847 0.356 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -120.58 109.45 15.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.6 ttp -96.85 122.54 39.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 81.0 m-85 -112.78 156.3 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.68 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -125.6 116.65 22.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.194 179.614 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.9 m-85 -97.62 132.58 43.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.049 0.452 . . . . 0.0 111.72 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.608 ' OD1' HD11 ' A' ' 8' ' ' ILE . 81.1 m-20 -94.07 8.86 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.412 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.571 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.2 m-20 -149.77 126.91 11.29 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 111.35 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.521 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 35.3 ttm180 -63.2 -47.81 80.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.726 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -34.71 78.93 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' HB3' ' A' ' 93' ' ' ASN . 95.6 t -70.35 -37.48 71.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.951 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.521 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 12.3 ptt? -73.8 -33.29 64.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.664 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.67 -28.13 51.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.784 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -71.57 -34.41 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.594 HD11 ' N ' ' A' ' 5' ' ' GLY . 24.2 mm -86.14 -45.22 16.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.041 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.612 ' HA ' HD23 ' A' ' 104' ' ' LEU . 10.6 ttmt -59.07 -43.06 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.7 mmm -66.45 -36.29 82.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.47 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.05 -38.16 53.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.947 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.821 HD11 HD13 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -71.38 -29.74 65.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.812 179.041 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.838 ' CG ' HD11 ' A' ' 48' ' ' LEU . 55.7 mt-30 -65.29 -35.74 81.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.98 -39.32 90.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.85 HD13 ' CD1' ' A' ' 42' ' ' LEU . 76.0 mt -59.16 -43.74 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.795 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.815 HG13 HD22 ' A' ' 48' ' ' LEU . 5.0 mm -52.2 -52.65 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 CA-C-O 121.791 0.805 . . . . 0.0 110.095 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -55.87 -26.16 45.76 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -34.76 64.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.738 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 43' ' ' SER . 47.4 m-85 -74.06 -31.39 62.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -75.17 -34.76 61.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.08 -38.78 83.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.33 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.853 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.869 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.31 153.34 24.1 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.011 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -65.14 139.57 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 111.295 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.67 147.95 22.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.798 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 90' ' ' SER . 30.0 mt -96.63 143.3 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.101 0.477 . . . . 0.0 111.268 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.5 t80 -145.55 106.32 4.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.921 178.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.2 mt-10 78.26 49.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.244 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm 62.04 14.22 6.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 8' ' ' ILE . 96.8 t -125.05 139.65 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 m -102.43 146.35 28.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.347 0.594 . . . . 0.0 111.833 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.39 -179.88 39.99 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.391 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.98 126.58 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.267 0.556 . . . . 0.0 111.148 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.874 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.45 122.82 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.918 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.556 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -120.53 142.75 49.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.621 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.696 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -103.59 115.27 45.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -100.03 109.68 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -109.25 -7.23 15.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.99 -19.97 55.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.208 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.686 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.25 -162.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.686 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.5 p -166.46 113.38 0.72 Allowed Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.58 152.54 97.8 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.418 -1.493 . . . . 0.0 112.494 0.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.32 172.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -148.69 160.95 42.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.424 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.874 HD11 HG23 ' A' ' 16' ' ' ILE . 18.1 tp -119.71 110.57 16.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.428 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 146.37 24.22 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-O 121.04 0.448 . . . . 0.0 111.948 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.2 110.0 9.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.47 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.695 ' HG2' HG22 ' A' ' 37' ' ' VAL . 77.5 mtm180 -103.42 126.68 50.71 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.45 160.13 9.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.933 0.397 . . . . 0.0 110.775 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -32.22 70.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.4 0.619 . . . . 0.0 109.989 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.82 -33.1 68.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.048 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.45 23.77 49.56 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.213 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -111.96 -20.3 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.663 0.268 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -122.37 126.49 48.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' HG2' ' A' ' 30' ' ' ARG . 33.1 t -125.85 120.73 58.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.187 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.8 t60 -108.89 142.28 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.166 0.508 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.456 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 25.9 m -121.69 132.03 54.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.794 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 21.4 t -117.17 142.86 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.637 ' HB ' HG22 ' A' ' 44' ' ' THR . 21.5 t -89.07 121.91 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.693 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.955 HD13 HD13 ' A' ' 107' ' ' ILE . 22.4 mt -85.42 -11.74 53.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.558 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -80.12 -25.27 39.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 110.758 179.735 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.637 HG22 ' HB ' ' A' ' 41' ' ' VAL . 13.0 t -95.07 20.66 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mm -98.82 98.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.69 -26.81 68.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.24 162.26 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.826 HD11 ' HG2' ' A' ' 105' ' ' GLN . 2.0 pt? -123.48 134.3 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -118.15 153.2 34.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.54 158.01 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.36 147.71 95.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.6 153.96 68.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.601 2.201 . . . . 0.0 112.433 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -17.5 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.452 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.78 -0.74 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.43 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -107.05 114.03 27.86 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.33 -18.84 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.675 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.408 ' O ' HG21 ' A' ' 51' ' ' THR . 36.0 mttp -85.75 119.79 26.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.9 mtt -97.07 112.04 23.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.559 ' C ' HD12 ' A' ' 60' ' ' LEU . 56.4 mtt -151.14 131.93 14.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' ' 101' ' ' LYS . 8.5 mp -115.3 119.14 35.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.97 126.22 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.75 130.89 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.2 mm -74.45 145.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.252 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 -179.733 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -108.3 117.07 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -104.27 129.27 52.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -117.53 161.01 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.725 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -125.45 123.22 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.269 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.616 ' CD1' HD13 ' A' ' 60' ' ' LEU . 33.9 m-85 -100.96 136.64 40.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.152 0.501 . . . . 0.0 111.848 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -98.46 9.98 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.263 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -152.88 129.22 10.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 97' ' ' MET . 8.5 tpp180 -64.78 -46.79 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.733 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -39.46 94.28 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.063 0.458 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.95 -33.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.676 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.475 ' SD ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -74.85 -31.73 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.749 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -79.52 -27.42 41.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.59 -32.13 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mm -86.02 -44.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.63 ' HB2' HD21 ' A' ' 60' ' ' LEU . 24.6 ttpp -56.41 -45.6 80.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.2 mtp -69.5 -36.22 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 110.944 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -39.52 72.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.186 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 18' ' ' ILE . 75.5 mt -66.76 -32.22 73.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.0 mm-40 -68.24 -33.17 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -65.19 -40.76 94.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.955 HD13 HD13 ' A' ' 42' ' ' LEU . 77.7 mt -57.51 -44.6 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 121.188 0.518 . . . . 0.0 109.8 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.557 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -52.43 -52.61 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 121.835 0.826 . . . . 0.0 110.353 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.7 t -56.48 -26.94 55.69 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.325 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.419 ' NH1' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -75.77 -34.08 60.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 43' ' ' SER . 33.9 m-85 -76.49 -29.93 57.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.487 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -75.95 -31.14 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.828 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.68 -36.69 74.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.22 -33.28 73.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.819 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.0 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.83 161.13 31.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.898 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -71.32 137.6 48.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.084 0.469 . . . . 0.0 111.426 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.663 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.84 145.69 24.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.611 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 12' ' ' VAL . 32.0 mt -96.36 143.27 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.097 0.475 . . . . 0.0 111.309 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.0 t80 -144.41 106.34 4.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.017 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 56.8 mm-40 78.21 49.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.388 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp 62.3 13.13 5.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 8' ' ' ILE . 85.9 t -123.75 138.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -101.94 145.28 29.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.46 0.647 . . . . 0.0 111.879 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.21 -179.88 39.89 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.134 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' ' 15' ' ' ILE . 1.9 mp -94.79 129.13 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.383 0.611 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.773 HG23 HD11 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.47 121.26 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.822 -179.106 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.31 143.33 45.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.893 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.3 mt -104.99 117.85 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.702 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -103.48 109.51 21.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -107.06 -8.65 16.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.984 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -58.66 -20.38 47.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.689 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -98.01 -162.14 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.689 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -166.87 113.68 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' O ' HG13 ' A' ' 22' ' ' VAL . 57.6 Cg_endo -71.25 153.18 96.36 Favored 'Cis proline' 0 C--N 1.346 0.429 0 C-N-CA 123.428 -1.488 . . . . 0.0 112.37 0.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.27 172.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.658 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.17 161.1 39.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.121 0.486 . . . . 0.0 111.743 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.793 ' HB2' HD21 ' A' ' 42' ' ' LEU . 17.9 tp -122.78 106.83 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.149 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.21 146.4 24.79 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.138 0.494 . . . . 0.0 111.939 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.3 t90 -134.13 109.98 9.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.329 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.557 ' HG3' HG22 ' A' ' 37' ' ' VAL . 72.3 ttt-85 -103.88 126.79 51.26 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -60.94 160.59 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.974 0.416 . . . . 0.0 111.001 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -31.98 71.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.501 0.667 . . . . 0.0 109.958 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -71.5 -33.19 69.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.013 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.53 25.36 47.23 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.004 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -112.37 -18.02 12.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -128.1 130.03 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.405 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.557 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.5 t -127.57 121.75 57.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.017 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.1 t60 -108.84 142.18 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.241 0.543 . . . . 0.0 111.233 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.453 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 20.2 m -119.84 132.54 55.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.772 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.57 145.27 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.37 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 44' ' ' THR . 37.0 t -91.56 121.13 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 27' ' ' LEU . 23.5 mt -83.88 -11.69 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.685 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.445 ' H ' HG12 ' A' ' 41' ' ' VAL . 91.0 p -77.48 -27.95 52.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -80.21 -22.92 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.047 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.705 HG13 HD23 ' A' ' 62' ' ' LEU . 38.8 mm -62.03 93.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -62.6 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -157.76 163.82 37.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.898 0.38 . . . . 0.0 111.117 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.846 HD21 ' HB3' ' A' ' 104' ' ' LEU . 2.1 mp -119.56 121.77 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.733 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.554 ' O ' HD13 ' A' ' 60' ' ' LEU . 94.8 mt-30 -115.11 145.47 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.52 158.05 44.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -70.37 142.69 89.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.69 162.94 40.77 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.559 2.173 . . . . 0.0 112.423 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.92 -12.34 61.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.533 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.72 -0.3 57.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.726 0.298 . . . . 0.0 111.378 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.03 115.37 30.06 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -57.92 -19.21 28.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.7 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -90.6 112.57 24.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -93.04 109.57 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 61.3 mtt -144.46 150.45 37.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -115.2 128.93 56.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.723 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -114.72 136.8 52.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.705 HD23 HG13 ' A' ' 45' ' ' ILE . 2.8 mp -123.1 129.19 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.47 128.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.096 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.439 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.353 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -116.57 124.69 50.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.8 mtt -95.22 111.07 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -104.2 147.2 27.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.4 t -121.05 135.28 55.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.295 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.0 m-85 -112.03 153.86 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.994 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.16 7.98 25.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.096 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.631 ' OD1' HG23 ' A' ' 96' ' ' VAL . 23.6 t-20 -152.88 123.24 7.15 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 97' ' ' MET . 24.3 ttm105 -59.51 -39.85 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -43.54 92.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.121 0.486 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.631 HG23 ' OD1' ' A' ' 93' ' ' ASN . 66.3 t -69.97 -33.13 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.624 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.58 -31.18 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.57 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 97' ' ' MET . 52.3 t0 -78.47 -27.66 46.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.34 -31.57 62.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 104' ' ' LEU . 37.5 mm -84.29 -43.51 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.785 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HD3' HD21 ' A' ' 60' ' ' LEU . 27.0 ttpp -60.76 -31.67 71.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.4 tpp -80.06 -46.28 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.231 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -63.51 -41.36 98.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.536 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.893 ' CD2' HD11 ' A' ' 18' ' ' ILE . 77.5 mt -66.27 -32.88 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -67.71 -32.03 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.86 -41.53 95.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.152 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.73 HD13 ' CD1' ' A' ' 42' ' ' LEU . 34.7 mt -56.61 -45.68 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.704 HD11 ' CD1' ' A' ' 48' ' ' LEU . 6.4 mm -51.24 -52.81 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.831 0.824 . . . . 0.0 110.338 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -30.98 66.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.013 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -73.94 -33.12 63.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -74.75 -28.81 60.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -74.52 -38.67 62.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.674 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.01 -37.46 76.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.43 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo . . . . . 0 N--CA 1.476 0.496 0 CA-C-O 120.859 0.275 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -76.59 -33.78 58.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -78.09 -22.53 48.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.355 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.4 p -122.42 128.55 51.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.073 0.464 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.51 156.69 27.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.827 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -70.02 138.88 52.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 111.269 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.34 146.72 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.927 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.0 mt -96.56 143.29 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.119 0.485 . . . . 0.0 111.343 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.531 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -144.43 106.32 4.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.939 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 78.08 49.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt 62.38 12.88 5.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 8' ' ' ILE . 84.0 t -123.93 137.87 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 t -102.09 144.29 30.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.454 0.645 . . . . 0.0 111.851 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.66 -179.97 39.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.311 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.33 128.4 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.157 0.503 . . . . 0.0 111.113 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.841 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.55 121.8 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.852 -179.2 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.55 143.59 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.62 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -100.77 114.91 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.7 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -99.99 109.61 21.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 1.1 pp20? -112.59 -6.51 13.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.948 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.73 -19.67 59.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.675 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.3 -162.07 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.675 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.8 p -165.82 113.41 0.78 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 65.2 Cg_endo -73.44 151.73 97.4 Favored 'Cis proline' 0 C--N 1.347 0.472 0 C-N-CA 123.503 -1.457 . . . . 0.0 112.461 0.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.32 172.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.701 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -155.7 149.37 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.841 HD11 HG23 ' A' ' 16' ' ' ILE . 8.5 tp -100.47 117.42 34.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.482 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 145.49 24.43 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.981 0.419 . . . . 0.0 111.549 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.27 111.49 10.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.638 ' HG2' HG22 ' A' ' 37' ' ' VAL . 50.3 mtp180 -105.62 128.25 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.43 161.78 8.91 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -32.72 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.372 0.606 . . . . 0.0 109.962 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -73.35 -32.81 64.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.992 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 25.44 48.12 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.046 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -109.95 -19.97 12.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.252 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.59 126.27 43.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' A' ' 30' ' ' ARG . 23.5 t -123.83 122.69 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.211 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' TRP . 5.8 t60 -108.91 142.14 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.5 m -122.46 134.71 54.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.761 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.78 146.1 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.384 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.608 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.2 t -92.44 122.42 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.733 HD13 HD13 ' A' ' 107' ' ' ILE . 11.8 mt -85.7 -11.84 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.511 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.444 ' H ' HG12 ' A' ' 41' ' ' VAL . 7.6 t -80.03 -25.44 40.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.0 110.748 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.608 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.8 t -93.57 15.98 14.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.609 HG13 HD23 ' A' ' 62' ' ' LEU . 34.8 mm -98.84 95.42 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -59.52 -31.33 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.696 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -163.43 171.0 16.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.851 HD21 ' HG2' ' A' ' 105' ' ' GLN . 3.3 pp -127.32 115.3 18.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -103.06 146.63 28.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.79 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -141.63 157.95 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 59' ' ' MET . 76.8 p -70.55 148.92 95.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.45 161.74 44.69 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.622 2.215 . . . . 0.0 112.384 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.8 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.516 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m -89.63 0.19 57.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.3 m -106.97 113.29 26.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.653 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.01 -18.79 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -89.01 115.96 26.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.408 ' HE2' ' N ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -90.77 115.74 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.674 ' O ' HG23 ' A' ' 51' ' ' THR . 70.5 mtp -151.01 133.15 15.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.019 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.79 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -115.39 119.85 37.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.722 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -105.27 138.11 41.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.609 HD23 HG13 ' A' ' 45' ' ' ILE . 1.6 mp -117.29 127.52 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.1 mm -81.6 119.12 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.58 49.58 3.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.593 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mttt 50.09 -176.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 111.218 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.9 t -107.87 -67.87 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -78.98 127.8 32.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -147.82 38.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.986 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.5 m -72.48 -26.49 61.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -89.45 -29.14 19.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.002 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -82.78 141.9 31.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.5 mtp-105 -61.01 131.91 52.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -78.4 145.96 34.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 48.5 t0 -62.65 -24.89 67.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 74' ' ' ASP . 14.3 m120 72.67 1.56 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.798 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -98.23 64.91 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.6 9.23 53.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.825 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -95.6 132.88 40.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.735 0.302 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -111.32 171.27 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.2 t -58.97 -35.74 58.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.69 108.83 1.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.182 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.74 118.89 5.19 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.429 2.086 . . . . 0.0 112.375 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -150.93 147.41 20.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.33 131.92 18.47 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.541 2.16 . . . . 0.0 112.383 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -110.16 126.19 53.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.766 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -119.32 139.33 52.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.063 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -110.75 109.48 19.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.2 ttp -97.01 124.0 40.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -111.12 153.82 25.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.535 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -117.83 119.58 35.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.351 179.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.441 ' CG ' ' HB3' ' A' ' 97' ' ' MET . 27.8 m-85 -98.81 135.09 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.577 ' OD1' HD11 ' A' ' 8' ' ' ILE . 29.9 m120 -97.96 12.17 35.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.266 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.559 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.6 m120 -151.44 122.73 7.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.572 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 59.6 ttm-85 -61.06 -45.46 94.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.645 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -34.78 78.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 121.164 0.507 . . . . 0.0 110.742 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 93' ' ' ASN . 92.3 t -70.61 -38.33 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.572 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 20.4 ptm -72.97 -33.22 65.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.362 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.21 -29.73 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -72.16 -32.63 67.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.65 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.4 mm -86.14 -43.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HB2' HD11 ' A' ' 60' ' ' LEU . 31.4 ttmt -53.5 -51.27 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.354 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtt -67.11 -33.51 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.226 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -38.44 66.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.62 ' CD2' HD11 ' A' ' 18' ' ' ILE . 69.0 mt -67.77 -32.81 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.851 ' HG2' HD21 ' A' ' 48' ' ' LEU . 89.3 mt-30 -66.95 -32.97 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -65.1 -41.88 94.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 42' ' ' LEU . 85.4 mt -57.51 -43.08 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.528 HG13 HD23 ' A' ' 48' ' ' LEU . 5.0 mm -53.01 -52.5 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.822 0.82 . . . . 0.0 110.341 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 m -55.58 -31.18 61.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.17 -1.377 . . . . 0.0 111.175 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -71.58 -32.68 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 24.0 m-85 -71.61 -28.54 63.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.677 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -70.17 -33.91 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.79 -37.67 79.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.29 72.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.865 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.476 0.448 0 CA-C-O 120.805 0.252 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -159.98 -45.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -59.05 -25.37 63.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.6 p -117.12 127.52 54.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.07 147.58 16.79 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.937 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.63 138.52 58.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 111.371 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.43 148.03 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.715 HD12 ' HB3' ' A' ' 90' ' ' SER . 29.7 mt -96.5 143.18 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.143 0.496 . . . . 0.0 111.409 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.1 t80 -144.66 106.34 4.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.934 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.2 mt-10 78.01 49.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.21 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt 62.55 12.8 5.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 8' ' ' ILE . 86.1 t -124.12 138.68 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 26.0 t -101.53 144.81 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 0.0 111.911 -178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.05 -179.98 39.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.37 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.63 126.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.209 0.528 . . . . 0.0 111.234 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.652 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.61 119.72 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.586 -179.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.59 142.52 46.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -106.42 108.59 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.65 109.75 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.97 -14.9 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.09 -24.66 10.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.927 0.394 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.94 154.06 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.835 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -138.65 107.79 7.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 14.5 Cg_exo -68.97 150.09 87.61 Favored 'Cis proline' 0 C--N 1.347 0.487 0 C-N-CA 123.561 -1.433 . . . . 0.0 112.36 0.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 172.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -156.17 155.78 33.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.894 0.378 . . . . 0.0 111.346 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD21 HG23 ' A' ' 16' ' ' ILE . 9.8 tt -113.35 116.93 30.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.511 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.29 147.32 25.58 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 121.104 0.478 . . . . 0.0 111.948 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.4 t90 -132.69 110.57 10.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.573 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.704 ' HG2' HG22 ' A' ' 37' ' ' VAL . 81.8 mtm180 -104.74 127.15 52.42 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -61.43 160.13 11.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.77 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -32.39 70.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.492 0.663 . . . . 0.0 110.116 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -72.22 -32.73 67.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.082 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.48 24.64 50.03 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.983 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.32 -19.74 12.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -124.92 126.32 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.731 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 ' HG2' ' A' ' 30' ' ' ARG . 38.6 t -124.93 120.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.1 t60 -108.83 142.26 39.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.372 0.606 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.441 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.6 m -114.94 130.28 56.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.564 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 21.3 t -110.03 136.26 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 43' ' ' SER . 23.9 t -92.23 125.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.1 HD13 HD13 ' A' ' 107' ' ' ILE . 11.4 mt -88.04 -11.7 46.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.794 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.484 ' H ' HG12 ' A' ' 41' ' ' VAL . 5.3 t -79.21 -29.33 42.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.842 0.354 . . . . 0.0 110.627 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -81.7 -20.41 39.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.641 HG13 HD23 ' A' ' 62' ' ' LEU . 31.0 mm -66.43 97.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.9 -28.82 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.606 ' CG ' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -163.31 169.2 19.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 108' ' ' ILE . 1.2 pt? -142.49 135.09 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.49 HE21 HD11 ' A' ' 63' ' ' ILE . 44.8 mt-30 -130.79 162.71 28.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB3' ' HE2' ' A' ' 101' ' ' LYS . . . -141.51 162.33 35.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 59' ' ' MET . 7.0 p -70.46 147.55 94.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.04 160.2 48.4 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.507 2.138 . . . . 0.0 112.422 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.66 -11.48 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -89.8 -1.09 57.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.378 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -105.11 113.92 27.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.6 -18.7 32.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.752 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -92.53 125.74 37.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -94.86 121.0 36.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.561 ' C ' HD12 ' A' ' 60' ' ' LEU . 42.2 ttm -151.12 127.93 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 91' ' ' PHE . 7.8 mp -115.18 118.58 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.688 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -102.93 139.96 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.641 HD23 HG13 ' A' ' 45' ' ' ILE . 1.2 mp -125.01 125.04 43.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.606 HD13 ' CG ' ' A' ' 47' ' ' LYS . 4.8 mp -98.28 135.76 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.44 -175.22 50.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.548 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -119.65 -177.15 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.8 HG22 ' HD3' ' A' ' 84' ' ' PRO . 17.6 t -114.75 139.45 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -72.97 63.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -155.57 43.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.4 p -59.0 -24.76 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.08 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.24 -35.31 76.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -108.7 140.73 41.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -113.93 125.86 54.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.689 ' HE2' HG13 ' A' ' 80' ' ' VAL . 47.4 mttp -73.77 164.5 26.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -110.44 -177.21 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -120.31 0.77 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.43 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -85.23 56.68 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.971 0.415 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.15 16.04 63.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.718 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 125.99 30.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.785 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -100.35 160.0 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.977 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.689 HG13 ' HE2' ' A' ' 73' ' ' LYS . 22.0 t -117.09 134.22 61.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.7 m -89.67 159.26 43.97 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.11 137.02 54.27 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.521 2.147 . . . . 0.0 112.262 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 84' ' ' PRO . 1.6 mmtp 179.86 -61.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.8 ' HD3' HG22 ' A' ' 66' ' ' VAL . 44.2 Cg_endo -68.33 137.84 41.08 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.476 2.118 . . . . 0.0 112.431 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -100.02 149.84 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.757 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -114.84 134.88 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.87 115.75 26.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.8 mtm -101.37 113.08 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -103.09 142.68 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.715 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -113.66 125.72 54.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.433 179.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.703 ' CD1' HD13 ' A' ' 60' ' ' LEU . 32.8 m-85 -104.1 139.77 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.106 0.479 . . . . 0.0 111.873 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -99.68 9.39 43.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.305 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.575 HD22 HG23 ' A' ' 96' ' ' VAL . 3.8 t30 -152.43 125.82 8.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 97' ' ' MET . 4.6 tmm_? -60.7 -42.63 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -42.08 96.56 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.575 HG23 HD22 ' A' ' 93' ' ' ASN . 61.4 t -70.39 -32.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.718 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -76.97 -31.64 56.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 97' ' ' MET . 89.3 m-20 -81.7 -26.81 34.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.56 -30.95 61.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.03 -41.47 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -51.36 -42.4 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.469 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -68.64 -46.16 69.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 111.468 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -43.58 93.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.559 ' CD2' HD11 ' A' ' 18' ' ' ILE . 90.1 mt -64.37 -37.4 87.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HA ' HD11 ' A' ' 48' ' ' LEU . 91.4 mt-30 -67.78 -33.32 74.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.78 -39.89 87.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 1.1 HD13 HD13 ' A' ' 42' ' ' LEU . 80.3 mt -59.14 -42.95 88.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.117 0.484 . . . . 0.0 109.866 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.596 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -52.5 -52.55 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.756 0.789 . . . . 0.0 110.216 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.6 m -55.12 -31.26 61.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -72.28 -32.74 66.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.69 -32.53 63.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.582 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -73.59 -34.94 65.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.84 -39.37 88.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.61 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.899 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.476 0.476 0 CA-C-O 120.788 0.245 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -120.89 149.01 43.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.6 m80 60.75 27.41 17.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 p -179.9 121.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.64 154.16 25.21 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.86 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.86 138.37 57.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.377 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.647 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -153.17 148.34 26.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.736 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.2 mt -96.53 143.18 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 111.377 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.8 t80 -145.3 106.32 4.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.939 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.89 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.275 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp 62.01 14.06 6.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.7 t -125.3 140.0 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -102.74 146.38 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.596 . . . . 0.0 111.841 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.02 -179.95 40.37 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.405 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.01 127.54 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.3 0.571 . . . . 0.0 111.159 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.68 119.16 49.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.608 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.39 143.58 44.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -99.81 114.31 37.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.912 0.387 . . . . 0.0 110.673 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -103.72 109.73 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 96.0 mt-10 -109.56 -6.81 15.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.05 -20.17 56.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.62 -162.05 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.682 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.4 p -166.5 113.38 0.72 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 59.9 Cg_endo -72.19 152.18 96.86 Favored 'Cis proline' 0 C--N 1.347 0.451 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.39 0.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.15 156.45 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.63 150.2 43.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.9 tt -107.32 116.78 32.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.484 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.04 147.29 25.76 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.835 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -133.1 110.28 10.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.547 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.49 ' HG3' HG22 ' A' ' 37' ' ' VAL . 59.5 ttt85 -104.75 126.79 52.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 t -60.26 160.25 8.71 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.808 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 -32.01 70.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.378 0.609 . . . . 0.0 110.022 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -70.69 -33.03 70.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.97 48.16 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.997 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.58 -19.74 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.728 0.299 . . . . 0.0 111.335 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -124.67 126.76 46.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.742 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.49 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.9 t -126.58 121.77 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.061 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.6 t60 -108.92 142.24 39.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.451 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.1 m -114.27 131.39 56.52 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.657 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 32.8 t -110.64 138.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.861 ' O ' HG22 ' A' ' 44' ' ' THR . 22.2 t -92.64 111.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 107' ' ' ILE . 23.8 mt -71.27 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.617 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.44 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -76.94 -29.31 55.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.861 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -78.61 -25.06 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 62' ' ' LEU . 29.9 mm -70.73 102.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -87.27 -23.64 24.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -148.86 162.59 39.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 HG13 ' A' ' 108' ' ' ILE . 1.4 pp -134.09 115.61 14.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -113.13 124.62 53.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -115.48 162.34 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 59' ' ' MET . 54.4 p -70.35 149.65 95.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.49 152.63 80.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.648 2.232 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -16.3 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.531 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.5 m -89.75 -0.3 57.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.316 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -107.0 113.41 26.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.366 . . . . 0.0 110.731 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.8 -18.83 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -76.54 115.01 15.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -94.01 106.1 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.685 ' O ' HG23 ' A' ' 51' ' ' THR . 50.6 mtt -151.11 138.7 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.542 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 24.9 tp -115.39 127.91 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.778 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.618 ' HE ' HD11 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -109.34 133.8 52.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 45' ' ' ILE . 2.7 mp -120.38 129.96 54.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.618 HD11 ' HE ' ' A' ' 61' ' ' ARG . 14.7 mm -101.39 138.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.198 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.88 -175.44 41.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -73.61 -175.69 2.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.833 0.349 . . . . 0.0 111.055 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.72 134.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.573 ' HA ' HG23 ' A' ' 81' ' ' VAL . 44.1 p30 -75.38 172.37 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -116.8 39.77 3.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.4 m -56.75 -24.19 48.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.025 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -58.71 -34.88 71.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -97.34 146.98 24.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -108.0 124.2 49.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.609 ' NZ ' HG12 ' A' ' 80' ' ' VAL . 64.4 mttp -95.37 160.32 14.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.39 -26.62 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 t30 75.83 1.22 3.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.685 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -82.41 59.73 4.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.914 0.388 . . . . 0.0 110.765 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.93 11.02 68.45 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.694 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -73.23 144.03 46.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -100.45 145.41 28.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.609 HG12 ' NZ ' ' A' ' 73' ' ' LYS . 30.2 m -126.77 153.2 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 67' ' ' ASP . 11.3 m -73.37 138.51 78.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.76 152.09 29.67 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.522 2.148 . . . . 0.0 112.251 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -60.32 160.55 17.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.44 93.24 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.52 2.147 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -96.73 135.41 38.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.81 143.22 43.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -114.69 111.95 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.7 mtm -91.88 118.01 30.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -112.82 156.96 21.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.598 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -126.66 119.97 28.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.485 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CG ' ' HB3' ' A' ' 97' ' ' MET . 27.4 m-85 -98.32 138.54 35.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.059 0.457 . . . . 0.0 111.792 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.496 ' OD1' HD11 ' A' ' 8' ' ' ILE . 27.9 m120 -100.11 12.77 36.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.387 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.537 ' HB3' HG23 ' A' ' 96' ' ' VAL . 19.5 m-80 -152.92 128.23 9.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.354 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.549 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 62.0 ttp180 -63.2 -45.2 92.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -34.75 78.63 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.136 0.493 . . . . 0.0 110.731 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 93' ' ' ASN . 86.4 t -70.58 -38.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.859 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 23.1 ptm -73.65 -34.16 64.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.404 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -76.0 -29.46 58.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -71.95 -33.5 68.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.698 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.4 mm -86.23 -43.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 23.8 ttpp -53.6 -35.19 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.297 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.0 -49.84 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.04 0.448 . . . . 0.0 111.156 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -38.25 87.12 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.665 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.622 HD21 HD12 ' A' ' 27' ' ' LEU . 48.2 mt -67.09 -35.77 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.585 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.43 ' HA ' HG12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -68.84 -33.96 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 110.577 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.3 -39.53 89.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.129 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 1.013 HD13 HD13 ' A' ' 42' ' ' LEU . 76.3 mt -58.45 -44.39 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.788 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.623 HG13 HD23 ' A' ' 48' ' ' LEU . 4.8 mm -52.0 -52.46 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-O 121.82 0.819 . . . . 0.0 110.297 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.1 m -53.74 -29.59 40.32 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.24 -1.345 . . . . 0.0 111.271 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -71.77 -34.88 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 53.1 m-85 -71.83 -31.25 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.726 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -73.85 -39.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.762 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.12 -37.32 76.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.95 -32.71 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.802 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.476 0.494 0 CA-C-O 120.838 0.266 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -96.89 23.95 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -93.56 161.37 14.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.43 ' O ' HD11 ' A' ' 100' ' ' ILE . 16.3 p 58.14 170.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.22 142.85 3.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.073 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.33 138.76 58.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.995 0.426 . . . . 0.0 111.415 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.655 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.42 146.84 22.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.692 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.5 mt -96.56 143.1 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.08 0.467 . . . . 0.0 111.203 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.2 t80 -144.39 106.25 4.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.945 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.18 49.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 62.15 12.86 5.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 8' ' ' ILE . 94.7 t -123.7 137.71 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -101.79 143.97 31.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.846 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.73 -179.92 39.06 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.302 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.85 127.58 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.69 117.87 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.536 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.42 142.7 41.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.687 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -107.18 117.02 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -110.35 109.63 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -108.76 -1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.871 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.27 -19.48 65.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.268 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.69 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -94.26 -162.05 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.855 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.69 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.48 112.86 0.81 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.17 150.54 95.72 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.759 -1.35 . . . . 0.0 112.402 0.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.26 170.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.622 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.75 160.89 39.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.932 0.396 . . . . 0.0 111.489 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.607 HD21 HG23 ' A' ' 16' ' ' ILE . 9.3 tt -119.88 113.91 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.408 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.12 147.27 25.71 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.824 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.0 t90 -132.12 109.96 10.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.622 ' HG2' HG22 ' A' ' 37' ' ' VAL . 30.6 mtm105 -104.92 127.56 52.81 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.1 p -60.54 161.44 7.6 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.735 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.19 -32.55 71.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.384 0.611 . . . . 0.0 109.992 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -73.55 -32.69 64.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.5 25.47 46.9 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.056 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -109.43 -20.98 12.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -125.67 126.91 45.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 ' HG2' ' A' ' 30' ' ' ARG . 23.0 t -124.85 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.7 t60 -108.9 142.29 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.222 0.534 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.425 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.6 m -115.28 132.3 56.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.853 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 22.4 t -114.82 139.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.235 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 43' ' ' SER . 25.0 t -92.45 123.99 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.908 HD13 HD13 ' A' ' 107' ' ' ILE . 16.9 mt -88.01 -11.66 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.643 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.439 ' H ' HG12 ' A' ' 41' ' ' VAL . 78.7 p -79.24 -28.67 42.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -82.47 -20.57 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.761 HG13 HD23 ' A' ' 62' ' ' LEU . 34.6 mm -64.81 94.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -63.36 -29.84 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.69 166.1 29.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.816 HD11 ' HG2' ' A' ' 105' ' ' GLN . 2.5 pt? -131.36 128.38 39.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -125.28 152.18 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.044 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -140.0 164.62 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.064 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.722 HG21 ' O ' ' A' ' 57' ' ' LYS . 7.1 p -70.35 146.52 94.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 159.08 54.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.547 2.165 . . . . 0.0 112.441 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.0 -17.46 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.412 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.15 57.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.382 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -107.02 112.61 25.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.0 110.616 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -56.86 -19.29 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.828 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.722 ' O ' HG21 ' A' ' 51' ' ' THR . 33.3 mttm -85.89 91.57 8.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 ptp -78.98 104.56 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.778 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 56.3 mtt -145.44 143.07 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.044 HD12 ' HB2' ' A' ' 50' ' ' ALA . 10.1 tp -115.35 124.4 51.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -112.71 136.69 52.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD23 HG13 ' A' ' 45' ' ' ILE . 2.3 mp -118.24 128.68 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.603 HG23 ' HG2' ' A' ' 86' ' ' ARG . 3.6 mp -94.78 133.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.154 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.61 73.71 0.25 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.2 mttt 55.3 166.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.945 0.402 . . . . 0.0 111.475 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.427 HG13 ' HG3' ' A' ' 84' ' ' PRO . 31.4 t -133.78 137.55 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.023 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -78.75 99.08 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -115.6 38.89 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.5 m -92.09 13.95 17.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.278 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -99.19 -40.93 7.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp 57.98 104.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 62.81 129.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -97.42 145.89 25.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 92.8 m-20 -62.8 -27.52 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 74' ' ' ASP . 65.9 m-20 72.09 1.08 3.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.814 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -84.45 57.68 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.59 -24.49 29.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.641 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.5 p30 -98.81 29.64 3.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.5 -38.13 80.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 81' ' ' VAL . 30.5 m -136.17 138.16 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 80' ' ' VAL . 5.0 m -159.46 147.53 13.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 150.33 66.48 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.522 2.148 . . . . 0.0 112.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 6.2 mttt 179.38 -54.57 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.018 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.427 ' HG3' HG13 ' A' ' 66' ' ' VAL . 50.3 Cg_exo -53.48 135.61 61.59 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.412 2.075 . . . . 0.0 112.29 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -98.18 118.16 34.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG2' HG23 ' A' ' 63' ' ' ILE . 92.7 mtt180 -131.63 136.14 47.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -105.64 111.76 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -97.78 112.71 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -106.89 150.37 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.9 t -120.89 125.94 48.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.8 m-85 -99.71 137.27 38.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 111.804 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.84 6.52 48.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.369 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -150.49 123.07 8.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 61.6 ttp180 -62.66 -30.87 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.92 -46.67 51.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.166 0.508 . . . . 0.0 110.11 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.88 -29.71 45.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.689 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.454 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.22 -32.31 61.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.583 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.1 t0 -74.65 -28.99 61.09 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -72.4 -30.39 64.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.582 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.3 mm -86.08 -43.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.464 ' HD2' ' HB3' ' A' ' 50' ' ' ALA . 24.0 ttpp -58.42 -34.99 71.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.6 mtm -82.1 -43.7 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.953 0.406 . . . . 0.0 111.38 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.4 t -65.49 -39.98 92.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.687 ' CD2' HD11 ' A' ' 18' ' ' ILE . 26.3 mt -66.39 -31.99 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.89 -32.79 74.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.727 179.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.87 -42.13 95.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.304 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.908 HD13 HD13 ' A' ' 42' ' ' LEU . 82.5 mt -57.23 -43.36 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.897 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.72 HG13 HD22 ' A' ' 48' ' ' LEU . 6.6 mm -52.62 -52.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 CA-C-O 121.732 0.777 . . . . 0.0 110.125 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -56.24 -31.33 63.44 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.328 -1.306 . . . . 0.0 111.131 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.69 -32.64 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 17.5 m-85 -73.94 -28.63 61.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -32.02 65.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.708 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.08 -37.31 76.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.01 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.924 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.476 0.447 0 CA-C-O 120.859 0.274 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 59.01 167.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.7 m80 62.9 128.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 m 62.98 127.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.39 164.8 36.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.678 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -68.47 137.87 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.089 0.471 . . . . 0.0 111.305 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.638 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.32 147.31 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.736 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 90' ' ' SER . 29.6 mt -96.5 143.08 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 111.432 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.6 t80 -144.46 106.34 4.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.908 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.4 mt-10 78.04 49.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 62.36 12.97 5.64 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 8' ' ' ILE . 87.1 t -124.13 138.31 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -101.89 144.99 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.374 0.607 . . . . 0.0 111.895 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.01 -179.94 39.82 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.288 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.25 127.69 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.573 . . . . 0.0 111.161 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.658 HG23 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.51 116.24 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.297 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.42 142.98 39.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -103.55 113.64 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -103.82 109.73 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.5 -5.36 15.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.906 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.48 -19.88 64.0 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.351 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.56 -161.97 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 110.71 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.678 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.77 113.11 0.69 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' CB ' ' HB3' ' A' ' 43' ' ' SER . 8.3 Cg_exo -72.3 151.66 96.46 Favored 'Cis proline' 0 C--N 1.347 0.45 0 C-N-CA 123.779 -1.342 . . . . 0.0 112.319 -0.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.38 169.88 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.662 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -154.54 152.85 30.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 111.359 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.749 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.7 tt -111.51 114.25 27.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.596 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.39 147.29 25.51 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.764 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -131.48 109.95 10.65 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.46 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.816 ' HG3' HG22 ' A' ' 37' ' ' VAL . 10.8 ttt180 -104.1 127.84 51.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.6 p -62.44 160.2 14.03 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.745 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -31.96 71.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.414 0.626 . . . . 0.0 110.079 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -71.37 -32.35 68.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.1 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.87 24.29 49.67 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.077 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -113.92 -20.11 11.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.722 0.296 . . . . 0.0 111.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 126.29 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.816 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.3 t -126.61 119.01 52.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' TRP . 8.2 t60 -109.08 142.34 39.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.229 0.538 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.423 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 8.3 m -114.86 130.75 56.94 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.761 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -114.4 141.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.363 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG22 ' A' ' 44' ' ' THR . 18.0 t -92.62 122.84 44.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD21 ' HB2' ' A' ' 27' ' ' LEU . 28.2 mt -88.15 -11.69 46.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.591 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.41 ' HB3' ' CB ' ' A' ' 24' ' ' PRO . 60.6 p -80.24 -28.84 38.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.801 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.4 t -81.45 -21.77 38.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.686 HG13 HD23 ' A' ' 62' ' ' LEU . 31.2 mm -62.39 94.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.26 -29.7 70.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.022 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -157.79 169.68 24.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -127.61 128.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -125.63 152.62 44.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.55 164.48 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 59' ' ' MET . 1.0 OUTLIER -70.56 151.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.79 155.58 69.34 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.41 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -12.76 61.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.522 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 m -89.84 0.42 57.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.285 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -107.14 114.18 28.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.926 0.394 . . . . 0.0 110.627 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.84 -18.98 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.97 115.65 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.811 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.576 ' HE3' ' HG3' ' A' ' 94' ' ' ARG . 3.2 mpp? -87.82 124.85 34.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.508 ' HB2' HG23 ' A' ' 51' ' ' THR . 71.4 mtp -151.02 140.3 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 50' ' ' ALA . 12.4 tp -115.35 125.84 53.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.793 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -109.08 129.76 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.686 HD23 HG13 ' A' ' 45' ' ' ILE . 2.9 mp -117.89 130.55 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 63' ' ' ILE . 2.8 mp -106.48 132.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.2 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.2 -173.76 49.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -69.12 166.62 17.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 84' ' ' PRO . 25.2 t -127.15 -67.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.197 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -86.56 116.99 25.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.95 39.29 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.6 p -67.06 -22.17 65.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -59.13 -35.12 72.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -85.31 140.53 30.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -78.56 129.11 34.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -78.88 146.14 33.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.87 -28.28 67.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t30 75.68 1.05 3.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.705 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -96.16 39.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.85 36.14 91.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -97.26 24.59 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.642 0.258 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -115.41 133.47 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 80' ' ' VAL . 13.4 p -178.26 44.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.5 m -127.22 78.04 74.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.46 -27.25 46.91 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.559 2.173 . . . . 0.0 112.296 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -130.91 156.48 79.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.878 ' HB3' HG22 ' A' ' 66' ' ' VAL . 49.4 Cg_endo -69.03 155.1 69.4 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.512 2.142 . . . . 0.0 112.292 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -99.92 127.69 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.67 143.82 50.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -105.32 116.43 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.414 ' HB3' ' HE3' ' A' ' 88' ' ' MET . 3.4 tmm? -92.8 120.02 32.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 78.5 m-85 -113.86 159.06 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.719 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -126.47 121.04 31.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.528 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 96' ' ' VAL . 29.7 m-85 -100.97 143.41 31.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 111.712 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.524 ' ND2' HD11 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -100.63 9.24 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.496 178.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.542 HD22 HG23 ' A' ' 96' ' ' VAL . 20.7 t30 -156.86 130.65 8.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 111.36 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.576 ' HG3' ' HE3' ' A' ' 58' ' ' MET . 95.9 mtt180 -60.72 -40.6 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.673 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.079 0.466 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.542 HG23 HD22 ' A' ' 93' ' ' ASN . 62.9 t -72.41 -33.6 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.613 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.442 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -78.52 -30.6 47.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.541 179.641 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -84.31 -25.64 29.11 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.01 -32.45 63.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.7 mm -84.27 -43.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.761 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.522 ' HB2' HD13 ' A' ' 60' ' ' LEU . 18.7 ttpp -59.15 -32.81 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.3 tpp -77.89 -48.07 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 t -63.79 -39.91 95.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.316 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.549 ' CD2' HD11 ' A' ' 18' ' ' ILE . 34.9 mt -65.5 -32.72 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.421 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -66.4 -33.47 75.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.43 -41.55 96.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.735 HD13 HD13 ' A' ' 42' ' ' LEU . 79.4 mt -57.15 -43.9 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.827 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.466 HD11 HD13 ' A' ' 48' ' ' LEU . 7.0 mm -52.29 -52.27 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.758 0.79 . . . . 0.0 110.196 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -53.93 -30.02 44.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.253 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -36.59 69.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -74.54 -30.47 61.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -76.18 -31.2 58.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.97 -37.25 76.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.77 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 53.5 t0 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 N--CA 1.476 0.484 0 CA-C-O 120.836 0.265 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -160.93 -45.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -103.28 161.37 13.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.64 ' O ' HD11 ' A' ' 100' ' ' ILE . 21.8 p 57.65 172.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.14 150.26 5.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.054 -0.594 . . . . 0.0 111.985 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.27 139.8 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.937 0.399 . . . . 0.0 111.305 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.628 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.77 148.11 20.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.806 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.721 HD12 ' HB2' ' A' ' 90' ' ' SER . 29.2 mt -96.49 143.31 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.084 0.468 . . . . 0.0 111.338 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.71 106.36 4.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.018 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.3 mt-10 77.87 49.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.255 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt 62.02 14.17 6.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.1 t -125.33 139.98 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.2 m -102.28 147.71 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.393 0.616 . . . . 0.0 111.84 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -168.52 -179.85 41.07 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.69 128.0 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.291 0.567 . . . . 0.0 111.156 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.944 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.52 120.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.634 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -118.5 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 27' ' ' LEU . 1.2 mt -105.87 108.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -98.34 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -90.81 -16.32 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -53.03 -24.32 9.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.596 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.57 154.03 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.874 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.33 107.49 7.27 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 16.7 Cg_exo -67.66 150.11 83.69 Favored 'Cis proline' 0 C--N 1.347 0.463 0 C-N-CA 123.582 -1.424 . . . . 0.0 112.468 0.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.46 172.18 0.1 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.994 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.85 161.11 42.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.747 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.944 HD11 HG23 ' A' ' 16' ' ' ILE . 19.2 tp -116.99 115.05 24.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.379 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 146.97 23.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.101 0.477 . . . . 0.0 111.999 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -134.15 110.0 9.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.466 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.6 ttt85 -103.18 126.54 50.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -60.54 161.49 7.54 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.004 0.43 . . . . 0.0 110.783 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -32.16 71.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.988 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.37 -33.26 71.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.01 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.34 25.41 47.78 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.009 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -114.1 -19.02 11.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.714 0.292 . . . . 0.0 111.424 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -126.0 127.51 46.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.65 122.2 61.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.9 t60 -108.79 142.27 39.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.458 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 17.3 m -118.4 133.57 55.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.659 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 t -117.84 143.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 43' ' ' SER . 18.3 t -90.49 124.1 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 107' ' ' ILE . 20.2 mt -88.04 -11.73 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.661 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.449 ' H ' HG12 ' A' ' 41' ' ' VAL . 6.2 t -79.97 -30.18 39.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.77 0.319 . . . . 0.0 110.739 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.434 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.2 t -79.46 -24.01 42.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.717 HG13 HD23 ' A' ' 62' ' ' LEU . 31.7 mm -59.84 93.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.74 -30.9 69.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -160.27 166.65 29.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 104' ' ' LEU . 9.5 mp -117.37 134.89 54.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.763 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -127.95 143.89 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.53 156.28 45.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 p -73.12 153.27 90.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.36 157.36 62.16 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.5 -11.77 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.577 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -89.74 -0.03 57.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.363 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 61.8 m -107.07 113.91 27.65 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.876 0.37 . . . . 0.0 110.658 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.04 -18.86 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 100.46 13.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtm -78.69 120.57 23.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 76.9 mtp -151.04 136.68 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 50' ' ' ALA . 17.4 tp -115.29 117.34 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -103.91 131.55 51.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.035 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.717 HD23 HG13 ' A' ' 45' ' ' ILE . 2.7 mp -116.3 129.44 56.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.688 HG23 ' HG2' ' A' ' 86' ' ' ARG . 3.9 mp -104.84 129.76 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.86 171.49 46.91 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.337 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -99.2 -178.56 3.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.765 0.317 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 p -98.22 130.82 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.206 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -135.87 131.91 35.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -109.57 36.28 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m -87.64 -22.97 24.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -60.03 -34.82 73.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.7 tptm 59.56 102.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -59.92 131.8 51.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -99.66 170.66 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -81.17 -20.59 40.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -80.5 -0.91 39.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.448 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -98.93 32.5 2.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 110.988 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.87 16.16 7.41 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.987 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.99 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 0.0 111.468 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 58.82 50.46 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.008 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -126.51 153.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.3 m -141.86 150.27 55.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.26 147.11 65.36 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.578 2.185 . . . . 0.0 112.292 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.88 138.06 12.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.33 139.41 49.71 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.383 2.055 . . . . 0.0 112.289 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -98.02 137.0 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.688 ' HG2' HG23 ' A' ' 63' ' ' ILE . 91.4 mtt180 -116.75 137.27 52.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.059 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -115.9 121.21 41.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -103.25 122.73 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -114.4 157.44 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.721 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -124.16 121.05 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.9 m-85 -99.66 140.65 33.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 0.0 111.853 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.642 ' OD1' HD11 ' A' ' 8' ' ' ILE . 87.2 m-20 -101.97 12.5 36.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.4 m120 -153.43 131.38 11.74 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.931 0.396 . . . . 0.0 111.277 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.572 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 87.5 mtt180 -65.96 -48.29 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -34.66 78.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 110.715 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' HB3' ' A' ' 93' ' ' ASN . 93.0 t -70.46 -38.64 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.955 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.572 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 16.8 ptm -73.16 -32.76 65.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.507 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -74.89 -29.41 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.85 -33.16 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.64 HD11 ' O ' ' A' ' 4' ' ' SER . 39.0 mm -86.17 -43.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.967 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -59.4 -33.42 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -79.67 -42.99 23.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.411 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.482 HG23 HD13 ' A' ' 18' ' ' ILE . 1.3 t -66.19 -38.62 88.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.875 ' HB3' HD21 ' A' ' 48' ' ' LEU . 72.3 mt -67.05 -34.42 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HA ' HG12 ' A' ' 108' ' ' ILE . 48.9 mt-30 -66.91 -32.54 73.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.52 -40.69 93.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.848 HD13 HD13 ' A' ' 42' ' ' LEU . 55.5 mt -58.17 -43.36 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.173 0.511 . . . . 0.0 109.819 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.499 HD11 HD11 ' A' ' 48' ' ' LEU . 6.8 mm -52.54 -52.24 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.848 0.832 . . . . 0.0 110.215 178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.7 m -53.39 -30.02 37.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.243 -1.344 . . . . 0.0 111.277 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -71.29 -33.92 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -74.62 -31.87 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.69 -31.78 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.833 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.69 -38.09 80.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.15 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.949 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo . . . . . 0 N--CA 1.477 0.519 0 CA-C-O 120.814 0.256 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -122.0 150.32 42.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.5 m80 60.73 27.36 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.9 p -179.14 118.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.81 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.95 155.45 26.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.899 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 138.22 56.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.45 . . . . 0.0 111.393 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.634 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -153.05 147.42 25.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.673 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.3 mt -96.43 143.19 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.117 0.484 . . . . 0.0 111.319 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.36 106.34 4.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.4 mt-10 77.96 49.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.295 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 62.18 13.81 6.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 8' ' ' ILE . 89.0 t -124.71 139.6 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -102.83 145.77 29.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.43 0.633 . . . . 0.0 111.792 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.34 -179.93 39.99 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.528 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.68 126.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 111.045 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.6 119.07 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.679 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.5 143.33 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.605 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -102.77 118.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.741 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -108.25 109.67 21.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 5.7 pt-20 -110.6 -5.98 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -61.53 -19.65 62.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.687 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -96.71 -161.9 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 120.808 0.337 . . . . 0.0 110.817 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.687 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.0 p -166.2 113.14 0.74 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.15 151.37 96.99 Favored 'Cis proline' 0 C--N 1.347 0.486 0 C-N-CA 123.494 -1.461 . . . . 0.0 112.53 0.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.39 170.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.637 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -156.85 146.64 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.508 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.1 tt -106.97 114.12 28.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.399 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.25 25.84 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.026 0.441 . . . . 0.0 111.797 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.2 t90 -131.89 109.99 10.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.416 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HG3' HG22 ' A' ' 37' ' ' VAL . 60.7 ttp180 -104.38 127.08 51.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.0 p -60.46 160.74 8.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.987 0.422 . . . . 0.0 110.902 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.0 -31.87 71.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.415 0.626 . . . . 0.0 110.035 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.52 -33.15 70.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.66 25.16 47.47 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.127 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -113.1 -19.86 11.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.704 0.288 . . . . 0.0 111.224 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -124.75 132.64 53.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.8 t -130.8 121.75 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.8 t60 -108.87 142.42 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.43 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 6.6 m -114.45 136.17 53.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 29.5 t -119.7 141.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.217 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.484 ' HB ' HG22 ' A' ' 44' ' ' THR . 13.8 t -91.64 122.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 107' ' ' ILE . 24.6 mt -88.14 -11.87 45.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.692 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 72.3 p -80.61 -29.0 36.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.484 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.8 t -80.58 -23.57 39.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.744 HG13 HD23 ' A' ' 62' ' ' LEU . 36.6 mm -58.76 92.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.0 -32.43 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -161.36 171.11 18.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.72 HD11 ' HG3' ' A' ' 105' ' ' GLN . 0.6 OUTLIER -123.7 138.19 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -128.5 109.58 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -108.66 152.48 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 59' ' ' MET . 20.4 p -70.66 146.79 94.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.54 158.38 53.92 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.559 2.172 . . . . 0.0 112.447 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -13.99 62.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.454 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 t -89.78 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.344 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -106.85 112.9 26.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.825 0.345 . . . . 0.0 110.723 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.21 -19.19 19.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -89.82 97.54 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ptp -81.58 112.41 18.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.452 ' O ' HG23 ' A' ' 51' ' ' THR . 60.8 mtt -146.56 144.24 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -115.32 121.96 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.549 ' N ' HD13 ' A' ' 60' ' ' LEU . 41.4 ttm180 -113.79 134.53 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.744 HD23 HG13 ' A' ' 45' ' ' ILE . 2.3 mp -125.01 128.41 48.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 63' ' ' ILE . 3.1 mp -101.52 134.72 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.42 165.53 30.03 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.576 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -76.72 -176.66 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.945 0.402 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.676 HG22 ' HG3' ' A' ' 84' ' ' PRO . 31.3 t -99.4 129.37 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.051 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.25 135.49 47.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -141.45 38.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -98.52 -25.13 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -93.64 -26.46 17.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt 62.0 41.91 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -68.43 136.2 52.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -133.14 156.61 47.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -115.7 151.37 35.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -88.98 0.04 56.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.412 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -95.69 38.22 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.373 . . . . 0.0 111.098 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.31 36.34 57.35 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.696 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -86.43 91.36 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -101.12 28.41 5.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.6 m -129.41 159.35 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.62 HG11 HG21 ' A' ' 66' ' ' VAL . 29.5 m -64.17 145.06 98.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.62 -70.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.591 2.194 . . . . 0.0 112.363 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.54 95.88 0.21 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.676 ' HG3' HG22 ' A' ' 66' ' ' VAL . 74.3 Cg_exo -50.79 149.96 13.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.475 2.117 . . . . 0.0 112.307 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -96.03 139.15 32.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -133.0 147.92 52.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -106.5 120.94 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.3 ttp -99.95 118.74 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.747 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.64 155.32 22.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 m -124.23 123.04 39.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.393 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.2 m-85 -99.03 146.01 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 111.639 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.645 ' OD1' HD11 ' A' ' 8' ' ' ILE . 96.7 m-20 -102.8 10.41 38.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.672 HD22 HG23 ' A' ' 96' ' ' VAL . 22.6 t30 -157.67 129.58 7.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 111.307 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 97' ' ' MET . 92.1 mtm-85 -61.46 -40.08 93.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.761 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -44.06 91.8 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.154 0.502 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.672 HG23 HD22 ' A' ' 93' ' ' ASN . 63.9 t -69.96 -33.32 54.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.637 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.444 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -76.68 -31.06 57.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.508 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 97' ' ' MET . 23.0 t70 -80.63 -26.69 37.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -73.53 -28.98 62.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.807 HG22 HD12 ' A' ' 104' ' ' LEU . 33.0 mm -86.05 -41.64 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -56.53 -33.59 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.2 mmm -81.98 -47.84 12.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.517 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.5 t -61.11 -44.71 96.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.658 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.807 HD12 HG22 ' A' ' 100' ' ' ILE . 16.3 mt -64.5 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.404 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.72 ' HG3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.94 -34.41 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.691 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -63.96 -41.82 97.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.363 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.81 HD13 HD13 ' A' ' 42' ' ' LEU . 79.7 mt -57.17 -43.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.534 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -53.13 -52.48 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.809 0.814 . . . . 0.0 110.289 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -55.24 -31.13 61.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.201 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -71.43 -33.13 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 29.0 m-85 -71.31 -28.91 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.648 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.49 -39.64 74.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.725 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.18 -37.33 77.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.77 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.938 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 N--CA 1.475 0.407 0 CA-C-O 120.911 0.296 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -166.89 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -111.9 149.89 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.5 p 61.08 118.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.075 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.65 148.49 17.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.975 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.79 139.13 58.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 0.0 111.302 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.65 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.36 147.41 20.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.892 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.1 mt -96.49 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.06 0.457 . . . . 0.0 111.237 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.0 t80 -144.37 106.35 4.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.055 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.5 mt-10 78.09 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.216 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? 62.39 12.91 5.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 8' ' ' ILE . 95.9 t -123.73 137.84 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -101.62 143.59 31.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 0.0 111.786 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.58 -179.94 38.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.339 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -91.63 127.41 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 0.0 111.243 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.65 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.46 117.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.387 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.78 142.57 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.649 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.4 mt -108.09 108.8 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.67 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -108.56 109.81 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 96.2 mt-10 -92.59 -15.21 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.19 -23.53 14.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.81 0.338 . . . . 0.0 110.702 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.39 154.39 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.0 107.79 8.9 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.742 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.413 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 58.2 Cg_endo -71.33 148.64 90.44 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.543 -1.44 . . . . 0.0 112.443 0.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -54.51 168.46 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.2 154.04 28.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.558 HD21 HG23 ' A' ' 16' ' ' ILE . 9.1 tt -109.93 118.2 35.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.25 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.46 147.17 25.52 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.005 0.431 . . . . 0.0 111.951 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -132.5 109.99 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.386 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.703 ' HG2' HG22 ' A' ' 37' ' ' VAL . 86.8 mtm-85 -104.28 127.6 51.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.071 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -61.08 159.8 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.73 -32.31 70.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.439 0.638 . . . . 0.0 110.026 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -72.69 -32.63 65.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.8 25.22 46.61 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -111.43 -21.02 12.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -123.26 126.26 46.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.698 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG22 ' HG2' ' A' ' 30' ' ' ARG . 39.6 t -124.93 120.64 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.9 t60 -109.02 142.36 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.4 m -115.72 132.12 56.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.725 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.83 139.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.259 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.621 ' HB ' HG22 ' A' ' 44' ' ' THR . 21.8 t -93.72 122.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.008 HD13 HD13 ' A' ' 107' ' ' ILE . 20.8 mt -86.58 -11.86 50.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.469 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 8.3 t -79.82 -25.59 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.667 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.4 t -93.7 16.54 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.681 HG13 HD23 ' A' ' 62' ' ' LEU . 32.6 mm -100.91 93.24 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.876 0.369 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.634 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -162.45 170.16 19.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.713 HD21 ' HG2' ' A' ' 105' ' ' GLN . 0.7 OUTLIER -123.06 133.69 54.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.775 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.643 ' O ' HD12 ' A' ' 60' ' ' LEU . 15.8 mp0 -123.22 150.47 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.56 160.67 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 p -70.42 150.67 95.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.81 155.01 71.55 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.6 2.2 . . . . 0.0 112.372 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.99 62.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.552 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -0.36 57.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.371 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 m -106.96 112.9 26.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.665 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.89 -19.29 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -90.06 96.42 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 ptp -77.94 114.23 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.4 mtt -142.89 141.15 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 49' ' ' GLN . 17.7 tp -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -115.94 129.83 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.681 HD23 HG13 ' A' ' 45' ' ' ILE . 2.5 mp -111.6 130.6 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 mm -79.5 126.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.06 49.7 3.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.618 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mttp 49.84 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.869 0.366 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 68' ' ' GLU . 14.2 p -97.43 135.05 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -116.74 39.7 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' H ' HG22 ' A' ' 66' ' ' VAL . 49.3 mt-10 -148.71 38.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -106.46 -27.48 10.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -78.39 -31.57 48.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp 61.07 49.45 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.58 141.0 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -81.07 -169.65 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -138.97 163.49 32.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.779 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.56 -33.36 75.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -130.91 35.85 3.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.202 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 52.25 37.04 46.48 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.497 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -56.53 89.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.858 0.361 . . . . 0.0 111.052 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -156.02 47.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG23 HG22 ' A' ' 81' ' ' VAL . 28.9 m -64.14 -35.84 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.494 HG22 HG23 ' A' ' 80' ' ' VAL . 6.2 m -128.67 72.29 81.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.04 -162.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.547 2.165 . . . . 0.0 112.242 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.41 165.31 0.1 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.96 133.31 40.78 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.619 2.212 . . . . 0.0 112.243 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -81.07 127.45 32.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.654 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -117.67 136.45 53.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.04 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -99.6 109.52 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.0 ttp -102.14 122.72 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -111.26 153.67 25.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.576 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -115.99 117.99 31.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.385 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.0 m-85 -97.63 137.01 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.441 . . . . 0.0 111.749 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.683 ' OD1' HD11 ' A' ' 8' ' ' ILE . 90.3 m-20 -97.15 9.77 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.415 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.475 ' ND2' HG23 ' A' ' 96' ' ' VAL . 39.7 t-20 -155.23 125.34 6.67 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.943 0.402 . . . . 0.0 111.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 97' ' ' MET . 59.6 ttp180 -60.9 -40.38 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.653 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -42.7 95.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.475 HG23 ' ND2' ' A' ' 93' ' ' ASN . 59.7 t -70.49 -33.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.541 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.541 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 97' ' ' MET . 51.7 t0 -78.21 -28.22 47.96 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.752 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.4 -32.14 66.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.742 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.602 ' HA ' HG22 ' A' ' 103' ' ' THR . 27.2 mm -86.05 -44.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.982 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.405 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 24.1 ttpp -57.64 -36.5 71.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.211 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.5 mtm -81.19 -40.51 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.347 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.4 t -69.24 -32.05 71.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.606 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.649 ' CD2' HD11 ' A' ' 18' ' ' ILE . 30.5 mt -70.52 -29.5 66.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.385 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.713 ' HG2' HD21 ' A' ' 48' ' ' LEU . 83.8 mt-30 -67.16 -32.42 73.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.73 -39.76 91.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 1.008 HD13 HD13 ' A' ' 42' ' ' LEU . 78.5 mt -59.26 -43.36 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.207 0.527 . . . . 0.0 109.908 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 105' ' ' GLN . 6.6 mm -52.13 -52.63 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.734 0.778 . . . . 0.0 110.061 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -56.43 -29.84 62.1 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -71.82 -33.61 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 25.7 m-85 -70.99 -29.11 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -70.34 -39.72 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.724 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.14 -36.91 76.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.32 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.995 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 N--CA 1.478 0.585 0 CA-C-O 121.071 0.363 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m -58.52 -33.94 70.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -58.93 -24.59 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -116.63 129.03 55.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.67 151.86 22.91 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.898 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.93 139.57 58.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.981 0.42 . . . . 0.0 111.261 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.661 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.84 148.34 20.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.775 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 12' ' ' VAL . 27.4 mt -96.59 143.21 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.115 0.483 . . . . 0.0 111.405 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.528 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.9 t80 -144.68 106.39 4.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.878 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.99 49.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.27 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt 62.23 13.4 5.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 8' ' ' ILE . 85.5 t -124.81 139.39 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 t -101.44 146.45 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 111.839 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.16 -179.87 39.85 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.383 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -93.02 126.97 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.227 0.537 . . . . 0.0 111.171 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.932 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.54 122.61 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.881 -179.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -123.32 141.95 51.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.621 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -105.81 110.52 31.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.744 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -102.44 109.84 21.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.46 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.06 -14.03 39.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -52.39 -25.0 8.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.016 0.436 . . . . 0.0 110.757 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.52 153.99 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.864 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -137.9 107.64 8.25 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.845 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 52.2 Cg_endo -69.31 149.94 88.26 Favored 'Cis proline' 0 C--N 1.346 0.409 0 C-N-CA 123.408 -1.497 . . . . 0.0 112.457 0.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.38 172.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.053 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' OE1' HG21 ' A' ' 39' ' ' THR . 95.9 mt-10 -152.8 160.95 43.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.036 0.446 . . . . 0.0 111.619 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.932 HD11 HG23 ' A' ' 16' ' ' ILE . 15.6 tp -112.88 116.56 30.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 146.31 24.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 121.058 0.456 . . . . 0.0 111.972 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.3 110.01 9.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.435 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HG3' HG22 ' A' ' 37' ' ' VAL . 25.3 ttm105 -103.43 127.3 50.84 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.33 160.54 8.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.751 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.94 -32.25 70.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.406 0.622 . . . . 0.0 110.062 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -69.89 -33.61 72.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.018 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.96 24.62 48.19 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.028 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -113.09 -20.5 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.756 0.312 . . . . 0.0 111.311 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -123.49 130.7 53.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.752 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.51 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.0 t -129.25 122.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.8 t60 -108.86 142.23 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.307 0.575 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 12.0 m -118.19 133.29 56.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.54 144.26 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 43' ' ' SER . 23.8 t -90.51 124.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.478 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.92 HD13 HD13 ' A' ' 107' ' ' ILE . 16.3 mt -88.04 -11.74 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.738 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.446 ' H ' HG12 ' A' ' 41' ' ' VAL . 90.5 p -79.31 -28.56 42.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.43 HG22 ' HB ' ' A' ' 41' ' ' VAL . 9.2 t -81.07 -23.44 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.979 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.687 HG13 HD23 ' A' ' 62' ' ' LEU . 31.2 mm -62.63 91.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -61.83 -30.14 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -157.97 167.56 29.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.868 HD21 ' HB3' ' A' ' 104' ' ' LEU . 2.4 mp -119.46 133.48 55.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.71 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.928 ' NE2' HD11 ' A' ' 63' ' ' ILE . 30.7 mt-30 -124.48 142.44 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -141.5 154.82 45.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 p -70.49 143.64 90.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.33 164.03 36.26 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.498 2.132 . . . . 0.0 112.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.43 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.556 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.9 t -89.76 -0.74 57.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.678 0.275 . . . . 0.0 111.328 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.1 114.81 29.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.716 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -19.54 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.655 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -95.12 119.43 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.8 ptp -97.84 118.53 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.5 mtp -151.07 143.16 24.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -115.07 117.73 31.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.758 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -104.84 135.19 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.067 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.687 HD23 HG13 ' A' ' 45' ' ' ILE . 2.8 mp -116.42 129.84 56.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.676 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.928 HD11 ' NE2' ' A' ' 49' ' ' GLN . 8.8 mm -98.71 130.34 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.293 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.54 178.46 50.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.312 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -69.73 165.46 21.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.443 HG12 ' CG ' ' A' ' 68' ' ' GLU . 21.7 t -67.75 -41.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.13 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 61.6 69.27 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.443 ' CG ' HG12 ' A' ' 66' ' ' VAL . 37.5 mt-10 -109.31 36.3 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -103.2 -25.26 13.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -85.97 -30.4 22.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.19 142.41 27.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -117.48 124.54 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -99.95 146.53 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -109.94 -20.28 12.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 t30 76.53 1.14 3.29 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.63 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -79.12 60.0 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.44 20.23 60.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.824 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -112.32 -28.83 7.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 60.08 -172.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 p -115.39 142.93 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 81' ' ' VAL . 10.7 m -118.06 84.48 21.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.2 153.76 76.81 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.549 2.166 . . . . 0.0 112.365 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -119.85 73.36 17.84 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.04 128.03 16.98 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.635 2.223 . . . . 0.0 112.412 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.97 127.99 36.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.739 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.621 ' HD3' HD12 ' A' ' 63' ' ' ILE . 98.1 mtt180 -121.5 141.25 51.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -118.87 119.56 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.661 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 62.3 mtt -101.07 123.47 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.31 156.81 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.39 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.569 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -125.57 130.18 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.2 m-85 -109.51 151.48 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.561 . . . . 0.0 112.03 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -107.32 8.02 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.199 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.742 HD22 HG23 ' A' ' 96' ' ' VAL . 8.2 t30 -154.47 123.97 6.53 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.965 0.412 . . . . 0.0 111.304 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' A' ' 97' ' ' MET . 74.8 ttt-85 -65.61 -26.68 67.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.914 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -45.04 33.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.242 0.544 . . . . 0.0 109.911 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.742 HG23 HD22 ' A' ' 93' ' ' ASN . 90.4 t -68.63 -32.19 54.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.606 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.462 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -74.94 -34.06 62.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.544 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.9 -28.93 60.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -71.92 -32.17 67.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.448 HG22 ' CD1' ' A' ' 104' ' ' LEU . 29.6 mm -84.57 -45.55 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.735 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.716 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.6 ttpm? -59.19 -42.29 90.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.4 tpp -68.15 -37.87 81.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -34.95 66.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.022 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.868 ' HB3' HD21 ' A' ' 48' ' ' LEU . 66.3 mt -69.73 -33.52 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.354 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.16 -34.36 77.39 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -64.99 -40.05 94.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.255 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.92 HD13 HD13 ' A' ' 42' ' ' LEU . 73.1 mt -58.29 -43.94 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.254 0.55 . . . . 0.0 109.885 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.77 HD11 HD11 ' A' ' 48' ' ' LEU . 6.8 mm -52.43 -52.49 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-O 121.852 0.834 . . . . 0.0 110.173 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t -55.23 -29.19 57.52 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -71.47 -33.89 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 44.2 m-85 -72.73 -28.18 62.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -32.4 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.807 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -58.66 -44.27 90.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.1 72.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.051 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.476 0.462 0 CA-C-O 120.849 0.271 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m -59.13 -35.06 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -59.61 -24.57 63.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.1 p -116.5 126.23 53.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.73 152.42 23.89 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.9 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.57 139.54 58.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 0.0 111.227 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.623 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -158.02 147.23 19.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.774 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.704 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.5 mt -96.51 143.2 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.182 0.515 . . . . 0.0 111.417 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.91 106.37 4.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.887 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.02 49.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.249 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm 62.84 12.08 5.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 8' ' ' ILE . 56.7 t -123.59 137.97 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 22.1 t -100.92 142.71 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.369 0.604 . . . . 0.0 111.624 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -162.18 -179.97 37.13 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.513 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.84 125.51 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.251 0.548 . . . . 0.0 111.152 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -101.48 121.9 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.992 -179.074 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.59 141.71 48.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.5 mt -108.92 109.51 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -103.62 109.69 21.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -94.06 -15.67 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.26 -23.11 21.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -83.54 154.29 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.976 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.29 107.81 9.47 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.79 148.61 90.96 Favored 'Cis proline' 0 C--N 1.349 0.557 0 C-N-CA 123.465 -1.473 . . . . 0.0 112.532 0.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -54.36 172.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.93 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -155.25 157.79 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.128 0.489 . . . . 0.0 111.86 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' CB ' HD21 ' A' ' 42' ' ' LEU . 2.2 tp -114.53 114.21 25.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.79 146.27 24.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.154 0.502 . . . . 0.0 111.932 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.529 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.5 t90 -134.27 112.01 10.7 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.588 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.524 ' HG3' HG22 ' A' ' 37' ' ' VAL . 21.2 ttp-105 -105.95 124.71 50.01 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -62.3 154.54 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -32.13 64.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.408 0.623 . . . . 0.0 110.275 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -66.99 -32.96 74.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.96 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.7 23.53 55.73 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.003 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -117.21 -17.13 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.634 0.254 . . . . 0.0 111.41 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -123.52 125.99 45.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 30' ' ' ARG . 29.9 t -127.0 120.48 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.6 t60 -109.03 142.23 40.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.5 m -119.24 135.75 54.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.315 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.508 ' HB ' HG22 ' A' ' 44' ' ' THR . 16.3 t -94.82 123.43 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.912 HD13 HD13 ' A' ' 107' ' ' ILE . 20.5 mt -88.04 -11.8 46.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.552 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.424 ' H ' HG12 ' A' ' 41' ' ' VAL . 9.8 t -80.36 -28.26 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.824 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.508 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.7 t -83.21 -19.15 37.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.682 ' CD1' HD23 ' A' ' 62' ' ' LEU . 37.7 mm -63.48 93.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -62.89 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -159.11 168.47 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 105' ' ' GLN . 1.0 OUTLIER -124.32 125.92 45.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -117.8 152.68 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.55 164.51 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 59' ' ' MET . 1.1 p -70.44 148.36 95.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.49 153.95 69.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.656 2.237 . . . . 0.0 112.407 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.56 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.431 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 t -89.79 -0.41 57.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 m -107.06 113.17 26.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.96 -19.33 17.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.793 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -87.97 120.01 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 tpp -94.29 119.88 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.496 ' HE2' ' SD ' ' A' ' 88' ' ' MET . 77.4 mtp -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 50' ' ' ALA . 6.1 tp -115.17 123.49 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.775 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -107.77 132.93 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.682 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.2 mp -115.77 129.07 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.8 mm -94.78 118.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.062 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.26 70.41 0.64 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 mttp 51.59 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.881 0.372 . . . . 0.0 111.272 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.89 -67.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -77.2 122.19 24.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -111.4 37.19 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.0 m -60.55 -25.34 66.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -59.15 -32.67 70.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -79.89 149.78 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.9 mtp-105 -106.03 123.95 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 156.38 27.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -125.68 168.61 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -86.35 -0.49 56.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.478 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -96.55 38.09 1.23 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.883 0.373 . . . . 0.0 111.092 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.83 27.29 49.79 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.736 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.06 -36.88 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -127.69 154.05 45.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.46 -56.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 81' ' ' VAL . 7.6 p -127.83 77.48 76.3 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -51.61 127.04 21.33 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.508 2.139 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HD3' HG22 ' A' ' 81' ' ' VAL . 1.6 mtpm? -156.49 165.28 19.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 126.06 14.76 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.543 2.162 . . . . 0.0 112.179 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -88.47 126.4 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -132.93 141.82 48.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -117.65 109.9 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.496 ' SD ' ' HE2' ' A' ' 59' ' ' MET . 43.6 ttm -94.91 122.27 37.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.69 155.08 24.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -118.26 119.99 36.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.43 179.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.6 m-85 -101.65 137.51 39.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 111.817 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.579 ' OD1' HD11 ' A' ' 8' ' ' ILE . 81.1 m-20 -98.1 9.21 43.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.257 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.56 ' ND2' HG23 ' A' ' 96' ' ' VAL . 42.1 t-20 -154.62 123.71 6.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.911 0.386 . . . . 0.0 111.343 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' A' ' 97' ' ' MET . 41.4 ttp180 -60.87 -40.57 93.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -42.31 96.59 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.114 0.483 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.56 HG23 ' ND2' ' A' ' 93' ' ' ASN . 60.4 t -70.57 -33.52 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.626 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.454 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.12 -31.41 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.687 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 97' ' ' MET . 87.3 m-20 -78.16 -27.91 48.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -71.3 -32.46 68.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.16 -45.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.44 ' CD ' ' HB2' ' A' ' 50' ' ' ALA . 27.9 ttpp -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.228 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.66 -30.75 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.479 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.2 -32.95 56.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.109 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.714 ' CD2' HD11 ' A' ' 18' ' ' ILE . 72.4 mt -70.97 -33.66 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.495 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.564 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -67.74 -35.08 78.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.134 0.492 . . . . 0.0 110.517 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 95.9 mm-40 -63.37 -41.49 98.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.912 HD13 HD13 ' A' ' 42' ' ' LEU . 87.7 mt -57.53 -43.03 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 110.002 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.492 HG13 HD22 ' A' ' 48' ' ' LEU . 6.7 mm -53.09 -52.13 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.788 0.804 . . . . 0.0 110.257 178.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -54.33 -29.75 48.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.273 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.43 -36.14 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.993 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -74.17 -30.47 62.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -75.17 -31.48 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.63 -37.88 79.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.15 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.86 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo . . . . . 0 N--CA 1.476 0.457 0 CA-C-O 120.785 0.244 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -119.58 148.85 42.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.06 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p -124.52 129.79 51.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' N ' HD11 ' A' ' 100' ' ' ILE . . . -155.48 148.8 19.53 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.823 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 138.0 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 0.0 111.347 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.651 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.68 147.11 25.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.721 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.711 HG23 ' O ' ' A' ' 12' ' ' VAL . 27.4 mt -96.53 143.14 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.179 0.514 . . . . 0.0 111.385 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.515 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.11 106.27 4.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.861 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.3 mt-10 78.14 49.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 mttm 62.33 13.33 5.91 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 8' ' ' ILE . 97.0 t -124.39 138.36 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 23.2 t -102.63 144.6 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.462 0.649 . . . . 0.0 111.777 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.07 -179.88 39.26 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.452 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -91.7 127.52 43.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.232 0.539 . . . . 0.0 111.126 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.651 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.76 118.6 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.654 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.46 142.97 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.69 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -105.83 117.98 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -109.08 109.63 20.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -111.64 -5.33 14.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.63 -19.58 63.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.67 -162.06 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.697 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.52 113.13 0.8 Allowed Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 67.1 Cg_endo -73.79 151.49 97.08 Favored 'Cis proline' 0 C--N 1.347 0.494 0 C-N-CA 123.516 -1.452 . . . . 0.0 112.473 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.37 172.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.677 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -157.02 146.66 20.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.517 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.634 ' HB2' HD21 ' A' ' 42' ' ' LEU . 8.9 tt -109.14 113.6 26.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 147.14 25.84 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 121.032 0.444 . . . . 0.0 111.829 -178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -132.43 109.96 10.19 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.476 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HG3' HG22 ' A' ' 37' ' ' VAL . 59.0 ttt85 -105.23 126.71 52.39 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.1 p -60.52 160.82 8.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.05 -31.91 71.55 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.484 0.659 . . . . 0.0 110.04 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.56 -33.46 71.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.43 24.66 46.14 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.194 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -113.79 -19.23 11.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 111.294 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -124.01 127.29 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.479 HG22 ' HG3' ' A' ' 30' ' ' ARG . 21.9 t -127.74 121.34 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.4 t60 -108.9 142.29 39.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.46 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.9 m -115.41 131.13 57.03 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.739 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 24.7 t -114.74 139.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.243 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.669 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.4 t -93.81 119.62 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.807 ' CD1' HD13 ' A' ' 107' ' ' ILE . 19.5 mt -83.34 -11.82 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.605 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.428 ' H ' HG12 ' A' ' 41' ' ' VAL . 9.6 t -80.46 -26.25 38.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.684 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 41' ' ' VAL . 15.3 t -95.65 20.89 9.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.476 HG21 ' HG ' ' A' ' 62' ' ' LEU . 31.4 mm -105.13 101.09 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 111.062 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' HB2' ' CA ' ' A' ' 65' ' ' LYS . 50.1 t0 -60.99 -26.46 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.656 ' HG2' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -171.67 165.6 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.628 HD23 HD11 ' A' ' 108' ' ' ILE . 3.2 pp -133.08 116.6 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -110.95 154.4 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.047 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -141.53 161.05 38.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.4 p -70.57 148.86 95.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.85 161.81 44.54 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.543 2.162 . . . . 0.0 112.407 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -12.09 61.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.53 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -89.83 -0.09 57.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 0.0 111.295 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -104.61 114.31 28.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.608 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.19 -18.98 29.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.708 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -96.05 103.94 15.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtt -81.63 122.71 27.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.6 mtt -150.16 138.33 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.047 HD12 ' HB2' ' A' ' 50' ' ' ALA . 6.2 tp -115.33 117.51 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.797 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -103.26 139.08 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HG ' HG21 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -122.09 124.12 43.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.656 HD13 ' HG2' ' A' ' 47' ' ' LYS . 4.5 mp -102.4 129.86 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.98 -175.6 50.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' CA ' ' HB2' ' A' ' 46' ' ' ASP . 20.0 ptmt -116.76 -178.5 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.804 HG22 ' HG3' ' A' ' 84' ' ' PRO . 25.8 t -103.31 132.05 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -63.06 153.45 34.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.81 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -106.29 35.11 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.762 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.2 m -68.9 -25.33 64.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -59.9 -39.78 86.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -70.01 151.36 45.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 63.63 136.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -60.26 -165.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -137.99 169.4 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.729 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -68.0 -32.64 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 111.05 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -130.56 36.73 3.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.025 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.77 26.75 11.29 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.621 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -94.16 142.7 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 111.055 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -131.87 170.95 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.38 164.26 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.9 t -111.49 93.84 20.74 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.589 ' HB2' HG13 ' A' ' 66' ' ' VAL . 69.8 Cg_exo -51.0 141.8 35.98 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.593 2.195 . . . . 0.0 112.358 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -142.44 92.09 7.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.804 ' HG3' HG22 ' A' ' 66' ' ' VAL . 64.6 Cg_exo -51.35 128.17 24.68 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.489 2.126 . . . . 0.0 112.294 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -108.78 149.98 28.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -122.24 134.8 54.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -109.34 115.08 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.6 mtt -100.1 125.32 46.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -117.1 161.85 18.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.589 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -128.08 118.91 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.457 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.5 m-85 -98.71 137.74 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -97.94 10.44 40.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.444 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.542 ' ND2' HG23 ' A' ' 96' ' ' VAL . 45.5 t-20 -155.3 121.63 5.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.909 0.385 . . . . 0.0 111.222 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 36.3 ptt-85 -64.89 -27.43 68.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.759 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -46.15 40.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.281 0.562 . . . . 0.0 110.048 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.542 HG23 ' ND2' ' A' ' 93' ' ' ASN . 46.6 t -67.9 -32.44 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.553 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.455 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.548 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.03 -29.52 61.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.03 -32.19 68.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.481 ' HA ' HG22 ' A' ' 103' ' ' THR . 26.8 mm -86.0 -44.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.029 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.618 ' HD2' ' HB3' ' A' ' 50' ' ' ALA . 21.7 ttpp -56.57 -40.58 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.7 mtm -74.45 -40.33 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.357 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.2 t -71.4 -30.01 65.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.519 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.69 ' CD2' HD11 ' A' ' 18' ' ' ILE . 22.8 mt -72.7 -33.51 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.303 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.544 ' HA ' HD21 ' A' ' 48' ' ' LEU . 56.5 mt-30 -66.78 -32.71 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -41.38 93.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.807 HD13 ' CD1' ' A' ' 42' ' ' LEU . 80.3 mt -57.77 -43.53 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.886 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.628 HD11 HD23 ' A' ' 48' ' ' LEU . 5.3 mm -52.64 -52.56 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.823 0.82 . . . . 0.0 110.237 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -56.21 -31.24 63.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -72.16 -33.71 67.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 19.9 m-85 -71.7 -29.03 64.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.576 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -70.56 -39.34 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.694 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -59.45 -36.59 76.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.44 71.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.977 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo . . . . . 0 N--CA 1.476 0.46 0 CA-C-O 120.814 0.256 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -59.31 -34.53 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -59.34 -25.25 64.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -119.3 128.95 54.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.26 146.34 13.81 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.907 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.45 138.49 58.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 0.0 111.324 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.644 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.43 147.97 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.772 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 12' ' ' VAL . 28.3 mt -96.55 143.19 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 121.133 0.492 . . . . 0.0 111.352 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.522 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -144.78 106.35 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.856 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.0 mt-10 78.24 49.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.201 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.54 13.09 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 8' ' ' ILE . 98.2 t -124.2 138.29 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 25.8 t -101.46 144.48 30.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.368 0.604 . . . . 0.0 111.807 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.72 -179.89 39.03 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.447 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.14 126.83 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.238 0.542 . . . . 0.0 111.14 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.72 120.49 51.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.628 -179.519 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.5 143.51 45.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.64 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -102.44 115.6 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -105.56 109.74 21.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 45.6 mt-10 -109.47 -5.44 15.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.958 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.56 -19.85 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.298 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.687 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -95.42 -162.22 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.687 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.01 113.06 0.76 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.417 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 61.5 Cg_endo -72.92 151.96 97.6 Favored 'Cis proline' 0 C--N 1.347 0.453 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.471 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.27 165.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -152.98 148.63 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 111.38 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.6 HD21 HG23 ' A' ' 16' ' ' ILE . 9.5 tt -107.49 115.42 30.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.373 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.06 147.22 25.78 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.155 0.502 . . . . 0.0 111.791 -178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.522 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.1 t90 -131.89 109.97 10.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.483 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.611 ' HG2' HG22 ' A' ' 37' ' ' VAL . 88.6 mtt180 -104.42 128.25 52.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -59.93 161.43 6.59 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -32.4 71.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.481 0.658 . . . . 0.0 110.084 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.86 -32.25 61.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.05 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.35 25.76 46.31 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.052 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -107.69 -21.25 12.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.797 0.332 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -127.13 130.31 49.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.611 HG22 ' HG2' ' A' ' 30' ' ' ARG . 21.6 t -126.77 122.69 61.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.217 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.9 t60 -108.91 142.31 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.428 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 7.2 m -114.69 136.73 52.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 26.3 t -116.67 141.89 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.282 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.648 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.8 t -94.56 123.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.01 HD13 HD13 ' A' ' 107' ' ' ILE . 12.9 mt -86.86 -11.79 49.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.688 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.441 ' H ' HG12 ' A' ' 41' ' ' VAL . 4.7 t -80.24 -25.75 39.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.691 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.6 t -96.2 21.27 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.2 mm -104.5 95.88 4.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.251 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -61.47 -30.98 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -170.47 156.08 5.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -119.27 125.26 48.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.72 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.493 HE21 HD11 ' A' ' 63' ' ' ILE . 58.8 mt-30 -108.88 146.06 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.84 157.38 46.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.45 143.51 90.5 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.46 157.88 48.64 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.549 2.166 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.51 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m -89.94 0.67 56.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.283 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -106.32 112.24 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 110.632 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -56.78 -19.24 16.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.435 ' O ' HG21 ' A' ' 51' ' ' THR . 50.2 pttt -86.47 123.23 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -101.37 105.75 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 81.7 mtp -151.05 136.49 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 tt -115.34 122.35 45.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -103.47 145.41 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.427 HD23 HD12 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -130.5 123.35 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 HE21 ' A' ' 49' ' ' GLN . 33.4 mm -76.02 139.22 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.53 38.68 3.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.0 mttt 54.62 169.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.978 0.418 . . . . 0.0 111.453 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 66' ' ' VAL . 11.7 p -97.69 49.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.196 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 59.57 37.69 22.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 49.94 45.12 25.38 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.312 0.577 . . . . 0.0 110.357 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 t -53.9 -24.77 17.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.464 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -57.73 -33.45 68.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -83.53 140.63 32.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 127.69 36.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.716 ' HE2' HG21 ' A' ' 80' ' ' VAL . 32.8 mttp -92.0 160.09 15.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -58.93 -24.64 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 76.31 1.03 3.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.637 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -89.15 63.42 6.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.792 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.3 12.78 64.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.64 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.579 ' O ' HG23 ' A' ' 80' ' ' VAL . 87.9 m-20 -108.6 32.35 4.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.338 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -58.67 -36.85 74.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.716 HG21 ' HE2' ' A' ' 73' ' ' LYS . 21.1 t 60.17 159.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 81' ' ' VAL . 10.5 p -83.68 109.98 21.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.85 63.3 1.84 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.422 2.081 . . . . 0.0 112.319 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -129.11 87.32 54.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.482 ' HG3' HG23 ' A' ' 66' ' ' VAL . 65.1 Cg_exo -51.16 123.93 12.95 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.628 2.219 . . . . 0.0 112.328 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -90.61 135.84 33.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.729 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -123.53 141.99 51.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -103.8 109.53 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.7 mtt -96.04 122.53 38.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -114.13 159.03 20.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.561 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -125.26 119.07 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.605 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 27.9 m-85 -98.49 138.29 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.031 0.443 . . . . 0.0 111.703 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.63 10.04 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.543 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.469 ' ND2' HG23 ' A' ' 96' ' ' VAL . 43.1 t-20 -153.8 125.69 7.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 97' ' ' MET . 94.3 mtt180 -63.25 -28.09 69.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 -45.05 40.7 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.304 0.573 . . . . 0.0 109.91 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.469 HG23 ' ND2' ' A' ' 93' ' ' ASN . 58.3 t -68.38 -31.51 51.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.882 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.46 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 12.6 ptt? -77.31 -33.08 55.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.46 -24.88 36.51 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -73.92 -29.47 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.4 mm -86.07 -43.57 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.355 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 102' ' ' MET . 12.6 ptpt -50.37 -38.12 40.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.471 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 71.5 mtm -71.66 -48.34 48.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 111.138 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 -41.32 91.23 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.8 ' HB2' HD13 ' A' ' 48' ' ' LEU . 77.0 mt -65.22 -35.91 82.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.712 ' HA ' HD21 ' A' ' 48' ' ' LEU . 3.4 mt-30 -67.66 -32.99 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.656 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.66 -40.53 92.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.217 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 1.01 HD13 HD13 ' A' ' 42' ' ' LEU . 82.9 mt -57.88 -43.95 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.127 0.489 . . . . 0.0 109.794 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.424 HG12 ' HA ' ' A' ' 105' ' ' GLN . 5.2 mm -52.27 -52.5 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.748 0.785 . . . . 0.0 110.195 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -56.2 -31.61 63.61 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.089 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -72.81 -34.49 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 16.9 m-85 -72.74 -28.99 62.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.533 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -71.5 -37.18 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.718 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -58.31 -36.96 74.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.18 73.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.936 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.476 0.473 0 CA-C-O 121.159 0.4 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t 58.29 27.47 15.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -99.56 -21.26 15.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.191 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.4 p -115.9 127.92 55.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.57 149.03 20.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.809 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.16 137.3 58.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.631 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -154.21 147.08 24.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.806 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 12' ' ' VAL . 31.4 mt -96.47 143.22 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.041 0.448 . . . . 0.0 111.409 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.32 106.27 4.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.024 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 68.7 mt-10 77.97 49.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.292 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.44 12.72 5.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 8' ' ' ILE . 93.2 t -123.79 138.46 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.3 t -101.98 143.97 31.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.535 0.683 . . . . 0.0 111.916 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -165.5 -179.91 39.51 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.107 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -92.33 128.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.324 0.583 . . . . 0.0 111.195 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.631 HD12 ' CB ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.75 118.13 48.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.693 -179.467 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.47 142.28 40.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.658 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.6 mt -109.66 110.18 31.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -109.6 109.8 20.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 2.2 pt-20 -93.85 -14.15 26.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -55.6 -23.36 27.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.943 0.401 . . . . 0.0 110.69 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.27 154.81 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.007 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.72 107.99 8.41 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.5 148.42 88.37 Favored 'Cis proline' 0 C--N 1.348 0.546 0 C-N-CA 123.657 -1.393 . . . . 0.0 112.402 0.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 20' ' ' GLU . . . -56.71 169.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -157.4 156.56 32.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 0.0 111.467 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.548 ' C ' HD23 ' A' ' 27' ' ' LEU . 8.9 tt -113.45 118.78 35.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.349 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.2 147.3 25.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.048 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.7 t90 -132.96 109.94 9.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.542 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.513 ' HG3' HG22 ' A' ' 37' ' ' VAL . 57.7 ttt85 -104.38 126.68 51.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.09 161.41 6.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.776 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -32.35 71.35 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.03 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.98 -33.44 70.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.036 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.78 25.11 47.14 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.072 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -112.74 -19.67 11.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.702 0.287 . . . . 0.0 111.285 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -125.26 126.34 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.727 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.513 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.1 t -125.31 121.95 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.069 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.2 t60 -108.91 142.27 39.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 5.8 m -113.59 133.61 55.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.55 141.34 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG22 ' A' ' 44' ' ' THR . 20.5 t -91.93 123.44 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.644 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.799 ' CD1' HD13 ' A' ' 107' ' ' ILE . 20.0 mt -88.0 -11.8 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.676 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -79.44 -28.78 41.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB ' ' A' ' 41' ' ' VAL . 11.3 t -82.74 -17.93 42.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.646 ' CD1' HD23 ' A' ' 62' ' ' LEU . 31.6 mm -68.49 93.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.237 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -62.22 -30.13 70.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.77 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -164.42 154.37 14.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.631 HD23 HG13 ' A' ' 108' ' ' ILE . 1.8 pp -115.04 116.17 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.651 ' O ' HD12 ' A' ' 60' ' ' LEU . 4.3 tp-100 -103.46 145.83 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.638 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -137.4 155.0 49.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 59' ' ' MET . 44.4 p -70.58 149.51 95.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.77 169.06 18.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.624 2.216 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.09 -6.04 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.601 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -89.79 -0.71 57.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.11 112.56 25.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.695 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.78 -18.57 22.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.913 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -92.88 135.3 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.403 ' HE1' ' HG3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -99.31 120.06 38.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.864 ' O ' HG23 ' A' ' 51' ' ' THR . 38.4 ttm -151.13 129.82 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 49' ' ' GLN . 28.1 tp -115.14 122.86 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -105.5 130.07 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.004 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.646 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.7 mp -109.42 130.54 55.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.0 124.02 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.38 177.51 51.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.385 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -72.37 169.45 16.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.366 . . . . 0.0 111.039 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 66' ' ' VAL . 13.9 t -125.86 27.6 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -98.87 121.05 40.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -121.91 38.57 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -95.47 -23.81 16.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -67.63 -40.53 84.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -92.97 145.0 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -107.55 124.73 50.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -80.55 171.05 15.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -105.56 -23.54 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.1 t30 75.6 0.67 3.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.679 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -97.26 39.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.32 28.06 62.59 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.6 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -102.22 117.59 35.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -132.97 115.8 15.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.496 HG23 HG12 ' A' ' 81' ' ' VAL . 15.9 m -89.95 -35.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 81' ' ' VAL . 9.7 p -178.26 65.44 0.18 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.99 60.16 4.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.62 2.213 . . . . 0.0 112.39 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -177.7 152.74 0.92 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.85 126.07 20.13 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.555 2.17 . . . . 0.0 112.242 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -83.55 116.82 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.723 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -119.45 138.72 52.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.998 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -111.74 116.0 30.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 71.2 mtm -96.18 111.04 23.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.55 143.54 32.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.69 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -112.8 122.62 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.463 179.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 31.0 m-85 -101.01 146.46 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 111.721 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.526 ' OD1' HD11 ' A' ' 8' ' ' ILE . 76.3 m-20 -102.64 8.7 39.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.448 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.468 HD22 HG23 ' A' ' 96' ' ' VAL . 18.1 t30 -161.34 134.4 6.32 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.943 0.402 . . . . 0.0 111.636 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.444 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.5 mtt180 -64.42 -40.8 96.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.475 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -39.97 95.76 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.156 0.503 . . . . 0.0 110.603 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.468 HG23 HD22 ' A' ' 93' ' ' ASN . 64.2 t -72.64 -35.12 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.384 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.468 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 7.5 ptm -75.61 -32.64 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.324 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 -28.77 48.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -72.17 -32.7 67.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.07 -44.37 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.3 -41.11 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mmm -72.25 -38.68 68.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.129 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.515 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -72.14 -37.29 69.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.96 179.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.658 ' CD2' HD11 ' A' ' 18' ' ' ILE . 25.9 mt -68.04 -31.96 71.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.285 179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.527 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.7 mm100 -66.2 -35.76 81.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.16 -41.49 97.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.308 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.799 HD13 ' CD1' ' A' ' 42' ' ' LEU . 80.7 mt -57.57 -43.79 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.631 HG13 HD23 ' A' ' 48' ' ' LEU . 4.9 mm -52.24 -52.6 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.81 0.814 . . . . 0.0 110.236 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.2 m -53.43 -29.81 37.24 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.321 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -71.26 -34.14 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 107' ' ' ILE . 59.2 m-85 -70.38 -28.52 65.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.669 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -69.44 -35.02 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -59.36 -37.58 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.72 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.31 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.475 0.441 0 CA-C-O 120.748 0.228 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t 68.24 -68.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -80.19 -22.8 41.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.238 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p -122.98 127.12 48.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.035 0.445 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 149.69 20.27 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.787 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.25 137.3 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 0.0 111.385 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.627 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.55 148.07 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.674 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' VAL . 30.9 mt -96.5 143.35 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 111.391 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.526 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.7 t80 -144.79 106.38 4.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.069 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 69.6 mt-10 77.57 49.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.376 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? 61.44 15.03 6.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 79.0 t -125.63 140.19 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 m -103.09 147.95 26.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.5 0.667 . . . . 0.0 112.062 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -170.18 180.0 42.06 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.049 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -93.87 129.93 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.363 0.601 . . . . 0.0 111.221 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.627 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.78 118.6 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.636 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.8 143.17 43.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.708 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -104.16 118.52 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 120.986 0.422 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -109.07 109.68 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 7.1 pt-20 -111.01 -5.66 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.927 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.82 -19.81 62.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.268 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.684 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -96.7 -161.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.684 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.6 p -165.98 113.31 0.77 Allowed Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.788 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 63.1 Cg_endo -73.19 151.55 97.2 Favored 'Cis proline' 0 C--N 1.348 0.506 0 C-N-CA 123.481 -1.466 . . . . 0.0 112.46 -0.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.612 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -156.67 147.05 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 111.476 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.714 ' HB2' HD21 ' A' ' 42' ' ' LEU . 9.2 tt -108.14 113.92 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.381 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 147.27 25.77 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 121.099 0.476 . . . . 0.0 111.757 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.8 t90 -131.38 109.92 10.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.451 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 93.9 mtt-85 -103.77 125.32 50.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -56.91 164.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.811 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -33.5 70.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.404 0.621 . . . . 0.0 109.983 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -77.33 -37.83 51.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 -23.65 29.01 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.102 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.13 -21.63 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -107.35 126.25 52.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.947 0.403 . . . . 0.0 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.99 113.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.8 t60 -110.88 142.22 43.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.206 0.527 . . . . 0.0 111.231 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 9.0 m -114.38 132.55 56.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.803 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 22.3 t -116.38 142.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.322 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' HG22 ' A' ' 44' ' ' THR . 15.9 t -94.36 122.98 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.664 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.809 ' CD1' HD13 ' A' ' 107' ' ' ILE . 23.7 mt -87.96 -11.88 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.612 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 12.0 t -80.55 -27.57 37.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.896 0.379 . . . . 0.0 110.79 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.555 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.3 t -86.19 -5.86 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.354 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.404 ' CD1' HD23 ' A' ' 62' ' ' LEU . 30.5 mm -80.38 98.97 3.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.882 0.373 . . . . 0.0 111.244 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -60.92 -27.93 68.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.713 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -172.18 149.26 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' ' 105' ' ' GLN . 3.3 pp -109.19 116.42 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.791 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -104.18 155.42 18.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.728 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.6 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 59' ' ' MET . 71.6 p -70.5 152.13 95.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.47 159.25 51.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.532 2.154 . . . . 0.0 112.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -10.63 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.57 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.6 m -89.74 -0.06 57.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 114.19 28.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -57.24 -19.34 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -90.52 104.53 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.08 114.65 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.655 ' O ' HG23 ' A' ' 51' ' ' THR . 53.0 mtt -145.11 146.84 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.728 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 3.2 mm? -115.32 137.76 51.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -116.87 124.88 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.1 mp -101.76 132.51 47.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.01 123.8 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.3 124.29 7.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.4 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -64.77 -179.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.5 t -69.63 -35.14 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 62.01 47.05 6.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -108.79 36.23 2.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.8 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -145.73 26.19 1.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.995 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -143.3 -51.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -88.5 157.12 18.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -100.32 122.86 43.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -118.96 149.2 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -130.97 163.46 27.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -88.54 0.6 56.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.481 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -91.42 43.68 1.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.53 26.95 34.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.667 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -120.85 29.06 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -125.78 143.07 51.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.625 HG23 ' HD2' ' A' ' 83' ' ' LYS . 27.3 m -128.69 146.36 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.464 ' HB ' ' HD3' ' A' ' 82' ' ' PRO . 10.5 t -76.92 -48.39 2.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.576 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.464 ' HD3' ' HB ' ' A' ' 81' ' ' VAL . 94.9 Cg_endo -79.08 79.11 3.48 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.282 1.988 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.625 ' HD2' HG23 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -87.59 -52.06 0.41 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 83' ' ' LYS . 45.5 Cg_exo -56.42 122.77 12.37 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.458 2.105 . . . . 0.0 112.183 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -101.3 122.77 44.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -105.04 134.92 47.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.023 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -128.05 112.04 14.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.1 ttm -100.02 119.84 38.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -111.32 155.68 22.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.049 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -123.55 120.56 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.67 ' CD1' HD23 ' A' ' 60' ' ' LEU . 27.8 m-85 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.055 0.455 . . . . 0.0 111.663 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -97.26 10.87 38.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.48 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.83 ' OD1' HG23 ' A' ' 96' ' ' VAL . 17.7 t-20 -155.22 117.36 4.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.975 0.417 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 97' ' ' MET . 6.3 tmm_? -60.86 -29.02 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.893 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.19 -47.3 44.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.249 0.547 . . . . 0.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.83 HG23 ' OD1' ' A' ' 93' ' ' ASN . 59.3 t -67.17 -31.07 51.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.577 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.52 ' SD ' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -73.51 -33.16 64.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.647 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 97' ' ' MET . 46.8 t0 -73.73 -29.42 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.79 -30.1 63.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.552 ' HA ' HG22 ' A' ' 103' ' ' THR . 29.5 mm -86.13 -42.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' CD ' ' CB ' ' A' ' 50' ' ' ALA . 22.0 ttpp -57.78 -39.55 77.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.266 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.401 ' HE2' ' OD1' ' A' ' 98' ' ' ASP . 64.7 mtt -77.26 -40.47 44.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.394 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 100' ' ' ILE . 1.3 t -69.95 -31.4 69.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 18' ' ' ILE . 25.7 mt -71.72 -34.4 69.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.592 ' HA ' HD21 ' A' ' 48' ' ' LEU . 25.7 mt-30 -66.55 -31.63 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.17 -42.3 93.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.333 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.809 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.0 mt -57.19 -43.58 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.115 0.483 . . . . 0.0 109.838 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.416 HG12 ' HA ' ' A' ' 105' ' ' GLN . 6.2 mm -52.31 -52.81 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.808 0.814 . . . . 0.0 110.162 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.6 t -57.03 -27.13 61.36 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -33.25 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 30.8 m-85 -71.27 -28.76 64.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -70.39 -39.79 74.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.744 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.29 -32.92 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.857 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.476 0.475 0 CA-C-O 121.147 0.395 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 m -59.07 -34.16 71.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -59.04 -25.87 64.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 p -119.01 126.27 51.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.25 150.85 22.45 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -64.97 138.51 58.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.99 0.424 . . . . 0.0 111.331 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.764 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 12' ' ' VAL . 29.3 mt -96.61 143.16 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 CA-C-O 121.051 0.453 . . . . 0.0 111.314 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.4 t80 -144.82 106.36 4.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.912 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.6 mt-10 78.23 49.54 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.217 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm 62.45 13.11 5.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 8' ' ' ILE . 98.3 t -124.11 138.53 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -101.81 144.75 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.378 0.608 . . . . 0.0 111.768 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -164.85 -179.95 39.16 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.368 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -92.53 126.35 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 0.0 111.089 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.67 119.92 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.659 -179.486 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.35 142.8 46.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.2 mt -104.92 113.12 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -102.47 109.67 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 6.5 pt-20 -108.75 -3.8 17.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.908 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -63.68 -19.9 65.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.162 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.684 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -95.55 -161.9 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.777 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.684 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -166.18 113.22 0.75 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.96 151.6 97.22 Favored 'Cis proline' 0 C--N 1.346 0.444 0 C-N-CA 123.632 -1.403 . . . . 0.0 112.265 -0.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.35 171.13 0.12 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -156.57 150.25 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 111.477 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.675 ' HB2' HD21 ' A' ' 42' ' ' LEU . 8.9 tt -110.47 112.8 24.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.545 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.94 147.21 25.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.815 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -131.41 110.71 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.425 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HG2' HG22 ' A' ' 37' ' ' VAL . 72.5 mtp85 -105.27 127.1 52.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -60.13 160.04 8.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.964 0.411 . . . . 0.0 110.779 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -32.2 70.34 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.413 0.625 . . . . 0.0 110.012 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.57 -32.63 64.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.51 25.47 46.86 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.012 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -109.82 -20.48 12.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -126.29 128.21 46.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' A' ' 30' ' ' ARG . 21.9 t -126.02 121.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.139 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 39' ' ' THR . 7.6 t60 -108.95 142.36 39.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.193 0.52 . . . . 0.0 111.082 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 8.6 m -115.1 131.77 56.82 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.89 141.45 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.14 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.639 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.0 t -95.08 120.22 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 27' ' ' LEU . 20.3 mt -84.49 -11.87 55.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.55 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 7.5 t -81.15 -24.86 37.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.721 0.296 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.639 HG22 ' HB ' ' A' ' 41' ' ' VAL . 15.1 t -95.1 20.68 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.694 ' CD1' HD23 ' A' ' 62' ' ' LEU . 34.0 mm -96.61 100.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.16 -27.37 65.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -176.63 163.74 2.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.835 HD21 ' HB3' ' A' ' 104' ' ' LEU . 1.2 mp -103.74 138.35 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -127.18 138.21 53.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.792 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -137.62 154.92 49.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -70.58 151.91 95.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.21 152.04 76.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.183 . . . . 0.0 112.384 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.82 -15.59 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.496 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.2 m -89.73 -0.12 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.336 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 113.67 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.79 -18.98 25.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.777 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -84.4 112.05 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.8 mtm -88.54 116.54 26.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 85.8 mtp -150.99 133.58 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' ' 50' ' ' ALA . 14.5 tp -115.3 113.1 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.541 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -103.01 135.32 44.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.694 HD23 ' CD1' ' A' ' 45' ' ' ILE . 1.7 mp -111.54 128.3 55.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.736 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.427 HD12 ' HG2' ' A' ' 86' ' ' ARG . 10.1 mm -86.77 127.63 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.77 153.84 40.85 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.359 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -69.94 167.25 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.061 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.445 HG12 ' HG2' ' A' ' 68' ' ' GLU . 21.5 t -109.64 134.86 50.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -113.05 47.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.445 ' HG2' HG12 ' A' ' 66' ' ' VAL . 21.6 pt-20 -110.1 36.64 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.774 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -133.93 26.11 3.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.049 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -96.2 -69.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.55 154.82 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -107.47 122.09 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -140.03 -176.77 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -177.78 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.719 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 61.85 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.972 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 74' ' ' ASP . 98.1 mt-10 -119.24 38.41 3.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.811 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.33 30.64 75.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 80' ' ' VAL . 51.6 p-10 -131.6 51.27 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.984 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.28 -30.04 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 78' ' ' ASN . 21.5 t 65.02 100.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 81' ' ' VAL . 29.9 m -67.5 112.17 9.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.4 148.1 64.19 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.438 2.092 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -115.36 131.52 23.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.62 133.24 27.21 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.458 2.105 . . . . 0.0 112.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -80.91 131.56 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.713 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HG2' HD12 ' A' ' 63' ' ' ILE . 13.1 mtp180 -113.54 135.02 54.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.54 109.46 21.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.533 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 37.2 ttm -94.9 128.28 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 87.6 m-85 -119.35 163.04 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.695 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -127.37 122.39 33.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.407 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 33.7 m-85 -103.62 150.25 24.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.0 111.871 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -108.1 10.9 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.132 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' ND2' HG23 ' A' ' 96' ' ' VAL . 41.7 t-20 -156.29 129.48 8.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.892 0.377 . . . . 0.0 111.36 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 97' ' ' MET . 95.6 mtt180 -67.45 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.72 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -44.89 33.65 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.231 0.538 . . . . 0.0 109.773 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' ND2' ' A' ' 93' ' ' ASN . 57.9 t -68.4 -32.28 54.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.709 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.465 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 ptm -75.93 -34.26 59.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -79.24 -27.1 42.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -71.08 -31.41 67.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 104' ' ' LEU . 28.6 mm -85.21 -46.69 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 27.2 ttpp -58.99 -39.26 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.747 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 tpp -70.76 -38.92 73.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.514 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.34 -24.34 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.835 ' HB3' HD21 ' A' ' 48' ' ' LEU . 30.9 mt -80.8 -29.57 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -71.09 -35.78 71.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 103' ' ' THR . 10.1 pt20 -66.21 -38.17 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.018 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.565 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.7 mt -58.83 -43.54 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.87 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.718 HD11 HD11 ' A' ' 48' ' ' LEU . 6.6 mm -52.76 -52.36 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.864 0.84 . . . . 0.0 110.3 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.8 t -54.44 -30.78 53.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.288 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -71.19 -32.11 68.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 38.5 m-85 -71.18 -28.49 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.681 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -69.65 -35.6 75.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.766 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.06 -37.85 81.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.41 73.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.874 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 N--CA 1.476 0.479 0 CA-C-O 120.894 0.289 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.455 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -158.72 -45.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -59.21 -26.38 64.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 p -120.51 127.13 51.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.39 147.25 14.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -62.82 138.47 58.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.105 0.478 . . . . 0.0 111.301 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.658 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -154.08 148.29 25.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.791 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.694 HG23 ' O ' ' A' ' 12' ' ' VAL . 26.3 mt -96.6 143.15 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.072 0.463 . . . . 0.0 111.345 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.3 t80 -145.18 106.29 4.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.846 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 67.7 mt-10 78.55 49.26 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.214 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttt 62.16 13.84 6.14 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 8' ' ' ILE . 61.5 t -124.9 138.6 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -101.52 146.05 28.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.397 0.618 . . . . 0.0 111.777 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.4 -179.93 40.02 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.368 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.28 127.66 44.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.23 0.538 . . . . 0.0 111.117 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.658 HD12 ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.73 118.47 48.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.686 -179.498 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.19 143.55 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.679 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -102.19 119.72 50.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.06 109.61 20.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 8.0 pt-20 -112.88 -6.7 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.86 -19.54 62.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.315 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.685 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -96.61 -162.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.685 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -165.53 112.96 0.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.66 151.27 96.82 Favored 'Cis proline' 0 C--N 1.347 0.499 0 C-N-CA 123.526 -1.447 . . . . 0.0 112.453 0.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.4 169.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -156.89 146.43 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.401 . . . . 0.0 111.388 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 27' ' ' LEU . 9.3 tt -106.25 115.52 30.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 147.27 25.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.921 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -132.35 110.02 10.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.702 ' HG2' HG22 ' A' ' 37' ' ' VAL . 98.0 mtt180 -103.45 127.6 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -60.01 161.83 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 110.743 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -61.29 -31.99 71.83 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.423 0.63 . . . . 0.0 110.006 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.69 -32.26 65.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.074 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.09 24.66 47.5 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.083 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -112.1 -22.2 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -120.26 127.79 52.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.702 HG22 ' HG2' ' A' ' 30' ' ' ARG . 33.1 t -126.91 120.59 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.18 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' TRP . 8.2 t60 -108.97 142.26 39.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.419 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 6.9 m -114.86 135.42 54.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.706 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 24.5 t -117.94 140.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.248 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.643 ' HB ' HG22 ' A' ' 44' ' ' THR . 22.0 t -95.03 122.86 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' A' ' 107' ' ' ILE . 18.2 mt -88.06 -11.78 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.581 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 35.0 p -80.59 -24.91 38.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.643 HG22 ' HB ' ' A' ' 41' ' ' VAL . 13.6 t -96.56 20.88 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.561 ' CD1' HD23 ' A' ' 62' ' ' LEU . 34.0 mm -103.53 101.52 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.874 0.368 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.55 -26.33 65.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -173.61 165.97 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.699 HD23 HG13 ' A' ' 108' ' ' ILE . 2.8 pp -124.57 123.76 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.722 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.685 ' O ' HD12 ' A' ' 60' ' ' LEU . 32.6 mt-30 -108.55 147.38 31.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.46 151.38 43.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.409 HG21 ' O ' ' A' ' 57' ' ' LYS . 4.6 p -71.87 143.97 87.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.5 164.94 32.8 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.586 2.19 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.94 -12.76 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.468 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -89.77 -0.52 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.09 114.9 29.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.378 . . . . 0.0 110.583 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.96 -18.95 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.752 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' O ' HG21 ' A' ' 51' ' ' THR . 14.8 mtpt -95.79 104.33 16.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.412 ' HE3' ' CA ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -87.84 110.3 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 84.7 mtp -144.86 144.4 31.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.019 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 49' ' ' GLN . 27.0 tp -115.38 125.57 53.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -110.92 142.4 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 45' ' ' ILE . 1.0 OUTLIER -122.44 124.68 44.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.836 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.526 HD12 ' HG2' ' A' ' 86' ' ' ARG . 19.4 mm -89.8 125.17 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.37 166.22 52.33 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.404 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -66.4 161.12 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.01 134.12 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -134.44 39.26 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -128.34 37.8 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.81 -26.92 9.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -123.96 -0.18 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.435 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.45 87.26 0.1 Allowed 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.342 0.592 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -60.72 -157.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.222 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -147.21 -176.25 5.15 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -146.1 175.4 10.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -63.09 -28.37 70.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -126.3 36.05 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.67 30.28 27.52 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.681 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -96.35 137.43 35.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.086 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -125.8 136.5 53.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 80' ' ' VAL . 9.9 p -169.8 59.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.009 0.433 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.0 m -127.04 67.69 70.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.38 123.49 9.94 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.519 2.146 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 mttp 58.58 163.37 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.83 141.88 46.11 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.578 2.186 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -80.99 123.14 28.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.526 ' HG2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -117.17 140.92 48.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.025 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -102.07 112.8 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 47.5 ttm -96.01 122.22 38.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.003 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.65 156.86 22.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.627 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -123.47 118.56 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 28.3 m-85 -98.82 140.12 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.118 0.485 . . . . 0.0 111.659 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.485 ' OD1' HD11 ' A' ' 8' ' ' ILE . 29.9 m120 -99.53 10.74 40.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.478 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.458 ' ND2' HG23 ' A' ' 96' ' ' VAL . 46.2 t-20 -155.74 129.65 8.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 111.424 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 97' ' ' MET . 59.1 mtp180 -66.63 -27.9 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.817 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.41 -45.5 46.25 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.297 0.57 . . . . 0.0 110.047 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.458 HG23 ' ND2' ' A' ' 93' ' ' ASN . 46.6 t -69.69 -32.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.746 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.458 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 3.2 ppp? -78.64 -31.92 47.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.4 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -80.64 -26.07 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.65 -29.35 61.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 2' ' ' SER . 23.2 mm -85.96 -41.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -54.67 -35.34 63.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.474 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mtm -78.67 -47.68 16.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.948 0.404 . . . . 0.0 111.516 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -62.19 -40.61 96.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.613 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.679 ' CD2' HD11 ' A' ' 18' ' ' ILE . 26.5 mt -65.32 -33.25 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.449 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.595 ' HA ' HD21 ' A' ' 48' ' ' LEU . 44.1 mt-30 -66.58 -32.92 74.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.57 -41.12 93.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.408 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.763 HD13 ' CD1' ' A' ' 42' ' ' LEU . 81.3 mt -58.08 -43.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.461 . . . . 0.0 109.955 178.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.699 HG13 HD23 ' A' ' 48' ' ' LEU . 6.5 mm -52.58 -52.44 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 121.71 0.766 . . . . 0.0 110.184 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 p -53.67 -35.84 61.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.113 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -67.08 -32.11 73.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 27.5 m-85 -71.83 -28.9 63.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.664 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.83 -34.22 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.34 -37.71 78.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.22 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.921 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 N--CA 1.476 0.48 0 CA-C-O 120.868 0.278 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.49 ' O ' HD13 ' A' ' 100' ' ' ILE . 10.7 t -117.12 -75.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -61.51 -24.48 66.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.0 p -122.05 130.29 53.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 149.28 18.64 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.915 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -63.97 138.22 58.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.041 0.448 . . . . 0.0 111.345 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.659 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.77 148.56 22.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.762 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.723 HG23 ' O ' ' A' ' 12' ' ' VAL . 30.6 mt -96.54 143.27 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 CA-C-O 121.093 0.473 . . . . 0.0 111.377 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.6 t80 -143.53 106.36 4.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.147 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 58.0 mm-40 77.61 50.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.337 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 61.83 13.32 5.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 8' ' ' ILE . 74.7 t -124.55 139.22 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -100.58 146.7 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.473 0.654 . . . . 0.0 111.896 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -167.26 -179.93 40.48 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.079 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.502 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -94.91 129.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.34 0.59 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.819 HG23 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.52 123.28 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.96 -179.209 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.94 49.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 18' ' ' ILE . 0.9 OUTLIER -100.71 110.87 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.63 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -93.15 109.47 20.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -107.41 -7.24 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.61 -20.77 50.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.92 -161.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.672 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -167.42 113.92 0.65 Allowed Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.434 ' O ' HG13 ' A' ' 22' ' ' VAL . 11.5 Cg_exo -70.95 153.36 95.95 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.674 -1.386 . . . . 0.0 112.192 0.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.18 172.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.49 161.03 40.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 111.544 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.819 HD21 HG23 ' A' ' 16' ' ' ILE . 1.7 tm? -115.14 106.97 14.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.108 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.6 146.57 25.04 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 120.994 0.426 . . . . 0.0 112.083 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.5 t90 -134.3 110.02 9.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.591 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.585 ' HG3' HG22 ' A' ' 37' ' ' VAL . 38.9 ttm180 -102.44 128.48 49.03 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -61.16 161.43 8.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.853 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -32.08 72.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.014 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.29 -32.38 68.58 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.09 51.03 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.05 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -114.03 -19.75 11.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.789 0.328 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -124.49 127.31 47.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.0 t -127.93 124.89 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.166 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.2 t60 -108.85 142.19 39.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.298 0.57 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 17.8 m -119.49 134.71 55.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.78 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 16.7 t -122.12 142.36 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.231 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 43' ' ' SER . 24.7 t -94.33 117.82 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.829 ' CD1' HD13 ' A' ' 107' ' ' ILE . 17.8 mt -76.89 -11.59 59.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.673 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.518 ' H ' HG12 ' A' ' 41' ' ' VAL . 1.3 t -77.04 -24.71 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.836 0.351 . . . . 0.0 110.697 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 41' ' ' VAL . 13.6 t -96.55 24.26 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.489 HD12 ' HG ' ' A' ' 62' ' ' LEU . 34.4 mm -104.21 100.24 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.94 0.4 . . . . 0.0 111.2 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -59.54 -28.01 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -176.36 165.13 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.834 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.727 HD11 ' CG ' ' A' ' 105' ' ' GLN . 2.6 pt? -128.02 130.75 48.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.744 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 91.4 mt-30 -119.42 161.79 19.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -141.58 154.78 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -70.61 148.09 94.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.16 161.65 45.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.533 2.155 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.7 -11.66 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.558 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.0 m -89.75 -0.18 57.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 p -104.21 113.36 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.585 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.57 -19.07 23.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -96.01 117.32 30.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.4 mmm -91.34 119.57 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.05 145.86 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 3.7 mm? -115.13 133.37 56.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.458 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 54.9 mtt85 -102.98 145.32 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' HD12 ' A' ' 45' ' ' ILE . 3.5 tp -126.89 117.15 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.6 mm -88.91 125.38 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.15 155.51 44.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.134 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -55.09 150.35 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 111.142 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.734 HG22 ' HG3' ' A' ' 84' ' ' PRO . 23.5 t -133.4 -45.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.265 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -66.71 118.11 9.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -118.05 39.91 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.0 m -57.49 -24.26 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -59.64 -40.5 87.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -89.85 133.94 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -72.66 130.37 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -86.15 146.3 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.26 -24.81 63.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 76.48 -0.1 3.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.664 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -103.76 38.31 1.85 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.961 0.41 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.61 25.35 63.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.562 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -60.38 -35.11 74.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -147.01 94.3 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.45 -37.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.9 t -152.53 135.96 9.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.656 ' HG2' HG13 ' A' ' 66' ' ' VAL . 59.4 Cg_endo -72.01 -169.73 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.402 2.068 . . . . 0.0 112.316 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -123.92 76.15 57.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.734 ' HG3' HG22 ' A' ' 66' ' ' VAL . 52.6 Cg_exo -54.89 128.27 29.77 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.598 2.199 . . . . 0.0 112.278 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -90.33 117.17 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 134.95 46.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -123.72 116.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.581 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 69.9 mtm -102.73 117.53 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 58.7 m-85 -105.04 149.47 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.708 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -116.77 126.82 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.343 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 35.3 m-85 -108.23 139.97 42.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.518 . . . . 0.0 112.044 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.432 ' OD1' HD11 ' A' ' 8' ' ' ILE . 82.0 m-20 -101.4 9.8 41.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.1 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.568 HD22 HG23 ' A' ' 96' ' ' VAL . 3.1 t30 -153.8 125.63 7.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 111.408 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 97' ' ' MET . 91.6 mtt180 -63.49 -41.68 98.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.517 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.92 97.82 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.089 0.471 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.568 HG23 HD22 ' A' ' 93' ' ' ASN . 85.0 t -69.31 -37.93 76.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.5 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 2.5 ptt? -72.31 -35.48 68.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.56 ' HA ' ' HZ3' ' A' ' 101' ' ' LYS . 81.4 m-20 -72.29 -31.32 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -70.81 -34.72 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.482 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 2' ' ' SER . 29.8 mm -86.24 -43.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.9 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.56 ' HZ3' ' HA ' ' A' ' 98' ' ' ASP . 7.9 ttpm? -55.15 -49.9 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.74 -34.12 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -36.09 66.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.2 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 107' ' ' ILE . 63.1 mt -68.44 -35.01 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.454 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.727 ' CG ' HD11 ' A' ' 48' ' ' LEU . 64.0 mt-30 -66.57 -34.46 77.95 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -65.35 -40.64 93.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.829 HD13 ' CD1' ' A' ' 42' ' ' LEU . 77.4 mt -57.98 -44.01 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.192 0.52 . . . . 0.0 109.856 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.693 HG13 HD22 ' A' ' 48' ' ' LEU . 5.4 mm -51.59 -52.69 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.854 0.835 . . . . 0.0 110.133 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.4 t -52.67 -28.49 21.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.208 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -70.29 -35.04 73.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 43' ' ' SER . 66.0 m-85 -71.51 -27.88 63.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.644 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -35.25 70.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.655 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -60.81 -39.21 88.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.31 -33.32 74.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.9 t0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 N--CA 1.476 0.499 0 CA-C-O 120.908 0.295 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -60.02 -30.4 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.449 ' CD2' ' CG2' ' A' ' 103' ' ' THR . 66.0 m80 -97.15 26.58 4.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p -164.01 125.71 2.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.998 0.428 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.594 ' N ' HD11 ' A' ' 100' ' ' ILE . . . -159.25 153.51 24.59 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.926 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.02 139.32 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.93 0.395 . . . . 0.0 111.344 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.662 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -157.24 149.04 22.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.606 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 12' ' ' VAL . 28.2 mt -96.57 143.4 12.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 111.279 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.539 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t80 -144.57 106.35 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.117 178.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 71.8 mt-10 77.5 49.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.21 15.2 6.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 8' ' ' ILE . 71.2 t -126.2 140.37 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.3 p -99.19 150.46 22.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.42 0.629 . . . . 0.0 111.807 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.17 174.02 44.82 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.592 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -90.41 126.65 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.906 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.21 122.5 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.996 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -122.94 141.82 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.873 HG13 HD13 ' A' ' 27' ' ' LEU . 1.4 mt -107.29 109.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -102.46 109.71 21.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -92.52 -14.57 28.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.229 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.74 -23.83 19.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.95 0.405 . . . . 0.0 110.632 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.86 154.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.004 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -136.36 107.94 9.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' SER . 59.8 Cg_endo -72.31 148.4 91.18 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 123.444 -1.482 . . . . 0.0 112.658 0.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . . . -54.43 172.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.998 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' OE1' HG21 ' A' ' 39' ' ' THR . 93.2 mt-10 -156.35 160.54 39.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.131 0.491 . . . . 0.0 111.696 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.906 HD11 HG23 ' A' ' 16' ' ' ILE . 14.6 tp -112.49 114.61 27.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.137 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.51 24.32 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.141 0.496 . . . . 0.0 112.33 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.539 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.44 109.87 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.388 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.58 ' HG3' HG13 ' A' ' 37' ' ' VAL . 2.1 mpt_? -101.69 125.05 48.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -57.98 154.57 12.25 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.066 0.46 . . . . 0.0 111.043 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -30.82 66.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.93 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -71.93 -32.37 67.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.98 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.86 24.51 48.99 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.046 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -114.49 -18.36 11.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.326 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -125.9 133.27 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.58 HG13 ' HG3' ' A' ' 30' ' ' ARG . 22.1 t -129.49 120.87 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.0 t60 -108.94 142.14 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.991 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.464 HG21 ' OE1' ' A' ' 26' ' ' GLU . 25.7 m -122.42 133.19 54.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.752 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 23.1 t -113.05 133.34 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.66 ' O ' HG22 ' A' ' 44' ' ' THR . 4.0 t -86.56 112.84 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.85 ' CD1' HD13 ' A' ' 107' ' ' ILE . 20.8 mt -72.33 -11.86 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.793 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 82.7 p -78.67 -26.9 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.682 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 41' ' ' VAL . 9.8 t -86.67 -22.18 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.658 ' CD1' HD23 ' A' ' 62' ' ' LEU . 39.1 mm -62.34 94.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.2 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.735 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -161.18 164.48 30.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.838 HD11 ' CG ' ' A' ' 105' ' ' GLN . 2.3 pt? -127.39 135.88 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -124.36 144.86 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.77 160.69 38.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.231 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.442 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.31 147.27 95.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.4 154.2 69.48 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.42 -17.73 64.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -89.75 -0.37 57.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.397 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -107.04 113.8 27.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.21 -18.8 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' O ' HG21 ' A' ' 51' ' ' THR . 97.6 mttt -86.21 116.87 24.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.75 113.1 24.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.6 mtp -150.95 133.38 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 61' ' ' ARG . 4.9 tt -115.34 128.36 56.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.434 ' N ' HD23 ' A' ' 60' ' ' LEU . 29.9 ttm180 -108.81 137.82 46.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.988 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.658 HD23 ' CD1' ' A' ' 45' ' ' ILE . 2.1 mp -119.3 127.96 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.18 136.35 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.286 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.3 163.61 29.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -78.54 176.63 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.051 0.453 . . . . 0.0 111.256 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.691 HG22 ' HB3' ' A' ' 84' ' ' PRO . 24.3 t -127.46 132.01 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.05 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -176.5 40.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -136.96 38.71 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.6 p -83.67 -26.42 29.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -77.88 -36.07 50.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.58 121.76 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -134.92 131.21 37.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -109.58 168.24 9.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.34 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -58.55 -21.78 53.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -97.18 38.56 1.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.32 35.36 88.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.618 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -107.32 97.64 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.16 -34.69 73.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.572 HG22 ' HD3' ' A' ' 82' ' ' PRO . 13.3 p -134.98 140.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 81' ' ' VAL . 7.3 p -131.58 76.81 74.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.572 ' HD3' HG22 ' A' ' 80' ' ' VAL . 46.8 Cg_endo -68.62 128.91 17.84 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.533 2.155 . . . . 0.0 112.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HB2' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -76.75 -49.93 2.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.691 ' HB3' HG22 ' A' ' 66' ' ' VAL . 75.2 Cg_endo -78.28 139.19 16.5 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.324 2.016 . . . . 0.0 112.451 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -123.01 142.26 51.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -118.79 135.32 54.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.808 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -120.58 109.45 15.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 60.6 ttp -96.85 122.54 39.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 81.0 m-85 -112.78 156.3 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.68 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -125.6 116.65 22.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.194 179.614 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 30.9 m-85 -97.62 132.58 43.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.049 0.452 . . . . 0.0 111.72 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.608 ' OD1' HD11 ' A' ' 8' ' ' ILE . 81.1 m-20 -94.07 8.86 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.412 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.571 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.2 m-20 -149.77 126.91 11.29 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 111.35 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.521 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 35.3 ttm180 -63.2 -47.81 80.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.726 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -34.71 78.93 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' HB3' ' A' ' 93' ' ' ASN . 95.6 t -70.35 -37.48 71.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.951 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.521 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 12.3 ptt? -73.8 -33.29 64.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.664 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.67 -28.13 51.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.784 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -71.57 -34.41 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.594 HD11 ' N ' ' A' ' 5' ' ' GLY . 24.2 mm -86.14 -45.22 16.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.041 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.612 ' HA ' HD23 ' A' ' 104' ' ' LEU . 10.6 ttmt -59.07 -43.06 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.7 mmm -66.45 -36.29 82.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.47 HG22 HD13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.05 -38.16 53.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.947 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.821 HD11 HD13 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -71.38 -29.74 65.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.812 179.041 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.838 ' CG ' HD11 ' A' ' 48' ' ' LEU . 55.7 mt-30 -65.29 -35.74 81.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.98 -39.32 90.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.85 HD13 ' CD1' ' A' ' 42' ' ' LEU . 76.0 mt -59.16 -43.74 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.795 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.815 HG13 HD22 ' A' ' 48' ' ' LEU . 5.0 mm -52.2 -52.65 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 CA-C-O 121.791 0.805 . . . . 0.0 110.095 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -55.87 -26.16 45.76 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -34.76 64.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.738 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 43' ' ' SER . 47.4 m-85 -74.06 -31.39 62.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -75.17 -34.76 61.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.08 -38.78 83.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.33 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.853 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo . . . . . 0 N--CA 1.476 0.45 0 CA-C-O 120.753 0.23 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -126.34 147.12 49.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 m80 60.61 28.35 18.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.7 p -177.93 121.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.31 153.34 24.1 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.011 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -65.14 139.57 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 111.295 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -156.67 147.95 22.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.798 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 90' ' ' SER . 30.0 mt -96.63 143.3 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.101 0.477 . . . . 0.0 111.268 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 40.5 t80 -145.55 106.32 4.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.921 178.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 28.2 mt-10 78.26 49.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.244 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm 62.04 14.22 6.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 8' ' ' ILE . 96.8 t -125.05 139.65 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 m -102.43 146.35 28.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.347 0.594 . . . . 0.0 111.833 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.39 -179.88 39.99 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.391 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -92.98 126.58 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.267 0.556 . . . . 0.0 111.148 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.874 HG23 HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.45 122.82 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.918 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.556 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -120.53 142.75 49.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.621 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.696 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.1 mt -103.59 115.27 45.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -100.03 109.68 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -109.25 -7.23 15.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.99 -19.97 55.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.208 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.686 HG13 ' N ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -97.25 -162.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.686 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.5 p -166.46 113.38 0.72 Allowed Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.58 152.54 97.8 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.418 -1.493 . . . . 0.0 112.494 0.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.32 172.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -148.69 160.95 42.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.424 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.874 HD11 HG23 ' A' ' 16' ' ' ILE . 18.1 tp -119.71 110.57 16.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.428 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 146.37 24.22 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-O 121.04 0.448 . . . . 0.0 111.948 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 27.9 t90 -134.2 110.0 9.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.47 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.695 ' HG2' HG22 ' A' ' 37' ' ' VAL . 77.5 mtm180 -103.42 126.68 50.71 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -60.45 160.13 9.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.933 0.397 . . . . 0.0 110.775 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -32.22 70.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.4 0.619 . . . . 0.0 109.989 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.82 -33.1 68.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.048 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.45 23.77 49.56 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.213 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -111.96 -20.3 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.663 0.268 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -122.37 126.49 48.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' HG2' ' A' ' 30' ' ' ARG . 33.1 t -125.85 120.73 58.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.187 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 6.8 t60 -108.89 142.28 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.166 0.508 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.456 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 25.9 m -121.69 132.03 54.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.794 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 21.4 t -117.17 142.86 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.637 ' HB ' HG22 ' A' ' 44' ' ' THR . 21.5 t -89.07 121.91 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.693 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.955 HD13 HD13 ' A' ' 107' ' ' ILE . 22.4 mt -85.42 -11.74 53.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.558 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -80.12 -25.27 39.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 110.758 179.735 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.637 HG22 ' HB ' ' A' ' 41' ' ' VAL . 13.0 t -95.07 20.66 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mm -98.82 98.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.69 -26.81 68.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.24 162.26 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.826 HD11 ' HG2' ' A' ' 105' ' ' GLN . 2.0 pt? -123.48 134.3 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -118.15 153.2 34.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.54 158.01 44.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -70.36 147.71 95.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.6 153.96 68.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.601 2.201 . . . . 0.0 112.433 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.39 -17.5 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.452 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.78 -0.74 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.43 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -107.05 114.03 27.86 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.33 -18.84 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.675 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' O ' HG21 ' A' ' 51' ' ' THR . 36.0 mttp -85.75 119.79 26.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.9 mtt -97.07 112.04 23.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.559 ' C ' HD12 ' A' ' 60' ' ' LEU . 56.4 mtt -151.14 131.93 14.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' ' 101' ' ' LYS . 8.5 mp -115.3 119.14 35.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.97 126.22 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.75 130.89 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 65' ' ' LYS . 38.2 mm -74.45 145.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.84 31.79 8.21 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' H ' HG22 ' A' ' 63' ' ' ILE . 17.2 mttm 49.7 -175.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 111.416 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.4 t -117.54 141.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -96.44 39.23 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -112.01 37.21 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -68.37 -24.0 64.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -82.53 -12.94 57.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 64.53 55.39 1.35 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.821 0.343 . . . . 0.0 110.818 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -59.7 134.03 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -85.63 164.51 17.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -79.11 -19.58 50.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -80.91 0.19 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.429 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -93.08 39.52 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.31 22.47 74.66 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.976 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -134.73 134.28 40.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 111.002 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -85.14 -51.77 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.779 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.6 t -120.33 126.0 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.481 ' N ' ' CD ' ' A' ' 82' ' ' PRO . 5.8 t -85.76 -46.56 0.6 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.494 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 81' ' ' VAL . 75.4 Cg_exo -49.95 132.64 32.81 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.362 2.041 . . . . 0.0 112.494 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 2.3 ttpm? -171.59 54.39 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 83' ' ' LYS . 60.3 Cg_endo -72.48 144.33 40.3 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.611 2.207 . . . . 0.0 112.509 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -100.6 133.97 44.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -115.05 138.81 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.154 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -108.3 117.07 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.6 ttt -104.27 129.27 52.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -117.53 161.01 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.725 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -125.45 123.22 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.269 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.616 ' CD1' HD13 ' A' ' 60' ' ' LEU . 33.9 m-85 -100.96 136.64 40.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.152 0.501 . . . . 0.0 111.848 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -98.46 9.98 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.263 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -152.88 129.22 10.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 97' ' ' MET . 8.5 tpp180 -64.78 -46.79 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.733 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -39.46 94.28 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 121.063 0.458 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.95 -33.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.676 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.475 ' SD ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -74.85 -31.73 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.749 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -79.52 -27.42 41.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.59 -32.13 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mm -86.02 -44.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.63 ' HB2' HD21 ' A' ' 60' ' ' LEU . 24.6 ttpp -56.41 -45.6 80.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.2 mtp -69.5 -36.22 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 110.944 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -39.52 72.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.186 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 18' ' ' ILE . 75.5 mt -66.76 -32.22 73.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.0 mm-40 -68.24 -33.17 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -65.19 -40.76 94.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.955 HD13 HD13 ' A' ' 42' ' ' LEU . 77.7 mt -57.51 -44.6 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 121.188 0.518 . . . . 0.0 109.8 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.557 HG13 HD22 ' A' ' 48' ' ' LEU . 4.8 mm -52.43 -52.61 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 121.835 0.826 . . . . 0.0 110.353 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.7 t -56.48 -26.94 55.69 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.325 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.419 ' NH1' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -75.77 -34.08 60.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 43' ' ' SER . 33.9 m-85 -76.49 -29.93 57.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.487 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -75.95 -31.14 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.828 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.68 -36.69 74.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.22 -33.28 73.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.819 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 N--CA 1.476 0.443 0 CA-C-O 120.795 0.248 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t 68.64 -67.7 0.2 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -97.95 27.8 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.0 p -176.01 118.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.83 161.13 31.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.898 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -71.32 137.6 48.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.084 0.469 . . . . 0.0 111.426 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.663 ' HB3' HD12 ' A' ' 16' ' ' ILE . . . -152.84 145.69 24.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.611 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 12' ' ' VAL . 32.0 mt -96.36 143.27 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.097 0.475 . . . . 0.0 111.309 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 41.0 t80 -144.41 106.34 4.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.017 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 56.8 mm-40 78.21 49.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.388 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp 62.3 13.13 5.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 8' ' ' ILE . 85.9 t -123.75 138.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -101.94 145.28 29.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.46 0.647 . . . . 0.0 111.879 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -166.21 -179.88 39.89 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.134 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' ' 15' ' ' ILE . 1.9 mp -94.79 129.13 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.383 0.611 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.773 HG23 HD11 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.47 121.26 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.822 -179.106 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.31 143.33 45.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.893 HD11 ' CD2' ' A' ' 104' ' ' LEU . 1.3 mt -104.99 117.85 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.702 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -103.48 109.51 21.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -107.06 -8.65 16.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.984 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -58.66 -20.38 47.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.689 HG13 ' N ' ' A' ' 23' ' ' SER . 0.8 OUTLIER -98.01 -162.14 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.689 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -166.87 113.68 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' O ' HG13 ' A' ' 22' ' ' VAL . 57.6 Cg_endo -71.25 153.18 96.36 Favored 'Cis proline' 0 C--N 1.346 0.429 0 C-N-CA 123.428 -1.488 . . . . 0.0 112.37 0.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.27 172.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.658 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -144.17 161.1 39.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.121 0.486 . . . . 0.0 111.743 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.793 ' HB2' HD21 ' A' ' 42' ' ' LEU . 17.9 tp -122.78 106.83 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.149 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.21 146.4 24.79 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.138 0.494 . . . . 0.0 111.939 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 9' ' ' PHE . 28.3 t90 -134.13 109.98 9.28 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.329 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.557 ' HG3' HG22 ' A' ' 37' ' ' VAL . 72.3 ttt-85 -103.88 126.79 51.26 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -60.94 160.59 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.974 0.416 . . . . 0.0 111.001 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -31.98 71.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.501 0.667 . . . . 0.0 109.958 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -71.5 -33.19 69.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.013 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.53 25.36 47.23 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.004 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -112.37 -18.02 12.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -128.1 130.03 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.405 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.557 HG22 ' HG3' ' A' ' 30' ' ' ARG . 22.5 t -127.57 121.75 57.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.017 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' TRP . 7.1 t60 -108.84 142.18 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.241 0.543 . . . . 0.0 111.233 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.453 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 20.2 m -119.84 132.54 55.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.772 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.57 145.27 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.37 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 44' ' ' THR . 37.0 t -91.56 121.13 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 27' ' ' LEU . 23.5 mt -83.88 -11.69 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.685 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.445 ' H ' HG12 ' A' ' 41' ' ' VAL . 91.0 p -77.48 -27.95 52.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -80.21 -22.92 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.047 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.705 HG13 HD23 ' A' ' 62' ' ' LEU . 38.8 mm -62.03 93.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -62.6 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -157.76 163.82 37.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.898 0.38 . . . . 0.0 111.117 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.846 HD21 ' HB3' ' A' ' 104' ' ' LEU . 2.1 mp -119.56 121.77 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.733 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.554 ' O ' HD13 ' A' ' 60' ' ' LEU . 94.8 mt-30 -115.11 145.47 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' CD ' ' A' ' 101' ' ' LYS . . . -141.52 158.05 44.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -70.37 142.69 89.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.69 162.94 40.77 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.559 2.173 . . . . 0.0 112.423 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.92 -12.34 61.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.533 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -89.72 -0.3 57.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.726 0.298 . . . . 0.0 111.378 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.03 115.37 30.06 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -57.92 -19.21 28.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.7 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -90.6 112.57 24.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -93.04 109.57 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 61.3 mtt -144.46 150.45 37.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -115.2 128.93 56.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.723 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -114.72 136.8 52.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.705 HD23 HG13 ' A' ' 45' ' ' ILE . 2.8 mp -123.1 129.19 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.47 128.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.096 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.37 -179.24 49.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.439 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -68.27 162.94 23.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 111.041 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 66' ' ' VAL . 13.6 p -97.14 45.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.193 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -74.34 115.71 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.554 ' OE2' HG23 ' A' ' 80' ' ' VAL . 22.1 pt-20 -111.37 37.19 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.6 m -61.46 -27.1 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -61.6 -37.12 82.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -104.86 142.46 34.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -70.18 130.28 41.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -85.67 161.62 19.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.45 -80.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.83 -33.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.035 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -119.77 38.15 3.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.97 31.68 55.8 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.759 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -103.74 149.32 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.726 0.298 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 mp0 57.88 31.21 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.554 HG23 ' OE2' ' A' ' 68' ' ' GLU . 9.6 p -64.05 146.19 13.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 81' ' ' VAL . 6.0 m -115.89 88.53 21.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.27 135.02 38.37 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.49 2.126 . . . . 0.0 112.311 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -166.48 59.99 0.57 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.5 142.87 66.9 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.596 2.197 . . . . 0.0 112.347 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -80.95 127.03 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -126.04 149.11 49.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.018 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -116.57 124.69 50.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 63.8 mtt -95.22 111.07 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -104.2 147.2 27.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.4 t -121.05 135.28 55.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.295 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 97' ' ' MET . 29.0 m-85 -112.03 153.86 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.994 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.16 7.98 25.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.096 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.631 ' OD1' HG23 ' A' ' 96' ' ' VAL . 23.6 t-20 -152.88 123.24 7.15 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 97' ' ' MET . 24.3 ttm105 -59.51 -39.85 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -43.54 92.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.121 0.486 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.631 HG23 ' OD1' ' A' ' 93' ' ' ASN . 66.3 t -69.97 -33.13 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.624 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -75.58 -31.18 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.57 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 97' ' ' MET . 52.3 t0 -78.47 -27.66 46.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.34 -31.57 62.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 104' ' ' LEU . 37.5 mm -84.29 -43.51 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.785 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HD3' HD21 ' A' ' 60' ' ' LEU . 27.0 ttpp -60.76 -31.67 71.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.4 tpp -80.06 -46.28 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.231 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -63.51 -41.36 98.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.536 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.893 ' CD2' HD11 ' A' ' 18' ' ' ILE . 77.5 mt -66.27 -32.88 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -67.71 -32.03 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.86 -41.53 95.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.152 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.73 HD13 ' CD1' ' A' ' 42' ' ' LEU . 34.7 mt -56.61 -45.68 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.199 0.523 . . . . 0.0 109.753 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.704 HD11 ' CD1' ' A' ' 48' ' ' LEU . 6.4 mm -51.24 -52.81 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.831 0.824 . . . . 0.0 110.338 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -30.98 66.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.013 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -73.94 -33.12 63.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -74.75 -28.81 60.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -74.52 -38.67 62.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.674 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.01 -37.46 76.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.43 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 stop_ save_